Iodide

Iodide

SCHEMBL2535919

CN(C)CC(O)C1CCN(c2ccc(N)cc2)C1.I

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
GFER P55789 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
RAD52 P43351 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACACB O00763 5/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 2/20 0.37
ADRA2C P18825 1/20 0.37
PTK2B Q14289 1/20 0.37
ESR2 Q92731 1/20 0.37
MCHR1 Q99705 1/20 0.36
CASP6 P55212 1/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2266263 0.99 MAPT (0.42) MAPTGFERKDM4EGAARAD52
Hydrochloric Acid SCHEMBL2539397 0.97 MAPT (0.41) MAPTGFERKDM4EGAARAD52
Iodide SCHEMBL2537438 0.80 MAPT (0.42) MAPTGFERKDM4EGAARAD52
Iodide SCHEMBL2533976 0.79 MAPT (0.41) MAPTGFERKDM4EGAARAD52
Iodide SCHEMBL2542803 0.78 MAPT (0.41) MAPTGFERKDM4EGAARAD52
SCHEMBL4627729 0.78 MAPT (0.41) MAPTGFERKDM4EGAARAD52
SCHEMBL2271837 0.78 MAPT (0.43) MAPTGFERKDM4EGAARAD52
Hydrochloric Acid SCHEMBL5924751 0.77 MAPT (0.40) MAPTGFERKDM4EGAARAD52
SCHEMBL2267495 0.77 MAPT (0.41) MAPTGFERKDM4EGAARAD52
Bromide SCHEMBL2538004 0.77 MAPT (0.42) MAPTGFERKDM4EGAARAD52

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8043385-B2 Composition oxidation colouring of keratinic fibres, containing a cationic cellulose ether, a metasilicate and oxidation dyes, method for oxidation colouring and uses thereof L'OREAL S.A. (FR) 2011-10-25 US claimed
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL S.A. (FR) 2010-10-21 US claimed
EP-1428515-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a surfactant; methods and uses OREAL (FR) 2008-07-02 EP claimed
US-20040250356-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a particular pearlescent or opacifying agent, methods and uses L'OREAL (FR) 2004-12-16 US claimed
US-20040226109-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol, process therefor and use thereof L'OREAL (FR) 2004-11-18 US claimed
US-20040216243-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a surfactant, processes therefor and uses thereof L'OREAL (FR) 2004-11-04 US claimed
US-20040211010-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol ester, processes therefor and uses thereof L'OREAL (FR) 2004-10-28 US claimed
US-20040205904-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a vitamin derivative, processes therefor and uses thereof L'OREAL (FR) 2004-10-21 US claimed
US-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses L'OREAL (FR) 2004-10-21 US claimed
US-8043385-B2 Composition oxidation colouring of keratinic fibres, containing a cationic cellulose ether, a metasilicate and oxidation dyes, method for oxidation colouring and uses thereof L'OREAL S.A. (FR) 2011-10-25 US disclosed
US-20040250356-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a particular pearlescent or opacifying agent, methods and uses L'OREAL (FR) 2004-12-16 US disclosed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US disclosed
US-20040231068-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a cationic polymer, methods and uses L'OREAL (FR) 2004-11-25 US disclosed
US-20040226109-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol, process therefor and use thereof L'OREAL (FR) 2004-11-18 US disclosed
US-20040216244-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and an organic diacid, methods and uses L'OREAL (FR) 2004-11-04 US disclosed
US-20040216246-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a polymer containing a fatty chain, methods and uses L'OREAL (FR) 2004-11-04 US disclosed
US-20040216245-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a para-aminophenol, methods and uses L'OREAL (FR) 2004-11-04 US disclosed
US-20040211010-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol ester, processes therefor and uses thereof L'OREAL (FR) 2004-10-28 US disclosed
US-20040205904-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a vitamin derivative, processes therefor and uses thereof L'OREAL (FR) 2004-10-21 US disclosed
US-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses L'OREAL (FR) 2004-10-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040231068-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a cationic polymer, methods and uses PHOSPHO1, KRT18, NUP205 MAPT 1983/4885GFER 2419/4885KDM4E 2371/4885
US-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses CDC73, KRT18, PAH MAPT 1091/4885GFER 1464/4885KDM4E 1179/4885
US-20040216246-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a polymer containing a fatty chain, methods and uses KRT18, PLIN5, PLIN1 MAPT 1958/4885GFER 2522/4885KDM4E 1845/4885
US-20040216245-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a para-aminophenol, methods and uses KRT18, CDC73, NUP205 MAPT 1322/4885GFER 2915/4885KDM4E 1079/4885
US-20040211010-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol ester, processes therefor and uses thereof KRT18, PPHLN1, PKLR MAPT 1287/4885GFER 943/4885KDM4E 1835/4885
US-20040250356-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a particular pearlescent or opacifying agent, methods and uses KRT18, CDC73, PPHLN1 MAPT 464/4885GFER 3331/4885KDM4E 2716/4885
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF KRT18, TUBB3, VIM MAPT 522/4885GFER 795/4885KDM4E 708/4885
US-20040216243-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a surfactant, processes therefor and uses thereof KRT18, NOTUM, PHOSPHO1 MAPT 2025/4885GFER 941/4885KDM4E 2696/4885
US-20040216244-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and an organic diacid, methods and uses KRT18, CDC73, DDC MAPT 1376/4885GFER 2614/4885KDM4E 1832/4885
US-20040226109-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol, process therefor and use thereof FARSB, PARN, PKLR MAPT 1812/4885GFER 564/4885KDM4E 3822/4885
US-20040205904-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a vitamin derivative, processes therefor and uses thereof KRT18, PPHLN1, PYCR1 MAPT 1738/4885GFER 1182/4885KDM4E 1936/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 MAPT 1406/4885GFER 518/4885KDM4E 1620/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.