Iodide

Iodide

SCHEMBL2533972

CC[N+](C)(C)C1CCN(c2ccc(N)cc2)C1.[I-]

nearest known ligand 0.44

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 6/20 0.44
GFER P55789 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAD52 P43351 1/20 0.44
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
ADRA2C P18825 1/20 0.40
PTK2B Q14289 1/20 0.40
ESR2 Q92731 1/20 0.40
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38

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
Hydrochloric Acid SCHEMBL6405819 0.99 MAPT (0.43) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL2267487 0.98 MAPT (0.45) MAPTGFERKDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL2542727 0.97 MAPT (0.44) MAPTGFERKDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL3059271 0.97 MAPT (0.44) MAPTGFERKDM4EGAASMN1; SMN2
Iodide SCHEMBL6728604 0.91 MAPT (0.39) MAPTGFERKDM4EGAASMN1; SMN2
Iodide SCHEMBL2537434 0.89 MAPT (0.42) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL2271831 0.87 MAPT (0.43) MAPTGFERKDM4EGAASMN1; SMN2
Iodide SCHEMBL2542800 0.86 DPP4 (0.40) MAPTGFERKDM4EGAASMN1; SMN2
Bromide SCHEMBL5249202 0.86 MAPT (0.42) MAPTGFERKDM4EGAASMN1; SMN2
Bromide SCHEMBL2538000 0.86 MAPT (0.42) MAPTGFERKDM4EGAASMN1; SMN2

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 28 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
EP-1428514-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, a tertiary paraphenylenediamine and a benzomorpholine coupler; method and use OREAL (FR) 2007-09-19 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-7101406-B2 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses L'OREAL (FR) 2006-09-05 US disclosed
US-20060112502-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses L'OREAL (FR) 2006-06-01 US disclosed
US-20050257329-A1 Composition for dyeing keratin fibers, comprising at least one alcohol oxidase and at least one cationic oxidation base, and process using this composition L'OREAL S.A. (FR) 2005-11-24 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-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
US-6521761-B2 For coloring hair CLAIROL INCORPORATED 2003-02-18 US disclosed
US-6461391-B1 Primary intermediates for oxidative coloration of hair CLAIROL INCORPORATED 2002-10-08 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 (9 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-20050257329-A1 Composition for dyeing keratin fibers, comprising at least one alcohol oxidase and at least one cationic oxidation base, and process using this composition KRT18, ADH1C, ADH1A MAPT 561/4885GFER 516/4885KDM4E 900/4885
US-20060112502-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 MAPT 1195/4885GFER 3408/4885KDM4E 1328/4885
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-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-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

“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.