Iodide

Iodide

SCHEMBL2542800

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

nearest known ligand 0.40

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
DPP4 P27487 9/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
GFER P55789 2/20 0.40
RAD52 P43351 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM2 Q14416 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRA2C P18825 1/20 0.36
PTK2B Q14289 1/20 0.36
ESR2 Q92731 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL2266615 0.99 DPP4 (0.41) DPP4KDM4EGAAMAPTGFER
Iodide SCHEMBL6405748 0.96 GRM2 (0.41) DPP4KDM4EGAAMAPTGFER
Iodide SCHEMBL2542708 0.96 GRM2 (0.41) DPP4KDM4EGAAMAPTGFER
Iodide SCHEMBL7141929 0.95 GRM2 (0.43) DPP4KDM4EGAAMAPTGFER
Iodide SCHEMBL6401114 0.95 GRM2 (0.43) DPP4KDM4EGAAMAPTGFER
Iodide SCHEMBL2540172 0.95 GRM2 (0.43) DPP4KDM4EGAAMAPTGFER
Iodide SCHEMBL2540978 0.95 GRM2 (0.43) DPP4KDM4EGAAMAPTGFER
Iodide SCHEMBL2537383 0.95 GRM2 (0.43) DPP4KDM4EGAAMAPTGFER
Iodide SCHEMBL5247763 0.95 GRM2 (0.40) DPP4KDM4EGAAMAPTGFER
Iodide SCHEMBL2540456 0.95 GRM2 (0.43) DPP4KDM4EGAAMAPTGFER

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 DPP4 4244/4885KDM4E 900/4885GAA 1852/4885
US-20060112502-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 DPP4 2362/4885KDM4E 1328/4885GAA 4728/4885
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 DPP4 1964/4885KDM4E 1179/4885GAA 4851/4885
US-20040211010-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol ester, processes therefor and uses thereof KRT18, PPHLN1, PKLR DPP4 2327/4885KDM4E 1835/4885GAA 4341/4885
US-20040250356-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a particular pearlescent or opacifying agent, methods and uses KRT18, CDC73, PPHLN1 DPP4 3697/4885KDM4E 2716/4885GAA 4764/4885
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 DPP4 4844/4885KDM4E 708/4885GAA 4088/4885
US-20040216243-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a surfactant, processes therefor and uses thereof KRT18, NOTUM, PHOSPHO1 DPP4 3394/4885KDM4E 2696/4885GAA 3878/4885
US-20040226109-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol, process therefor and use thereof FARSB, PARN, PKLR DPP4 2080/4885KDM4E 3822/4885GAA 1898/4885
US-20040205904-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a vitamin derivative, processes therefor and uses thereof KRT18, PPHLN1, PYCR1 DPP4 2370/4885KDM4E 1936/4885GAA 4705/4885

“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.