SCHEMBL13043380

SCHEMBL13043380

CN(/N=C/c1cc[n+](CCSSCC[n+]2ccc(/C=N/N(C)c3ccccc3)cc2)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.43
▸ KMT2A Q03164 10/20 0.43
▸ MAPT P10636 10/20 0.43
▸ SMN1; SMN2 Q16637 7/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ ALOX12 P18054 2/20 0.42
▸ LMNA P02545 3/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ G6PC1 P35575 2/20 0.38
▸ GAA P10253 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37

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
SCHEMBL12869222 1.00 MEN1 (0.43) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL13043594 0.91 MEN1 (0.39) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL13694853 0.90 MEN1 (0.42) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2920143 0.87 MEN1 (0.46) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2921507 0.87 ACHE (0.47) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2920142 0.87 MEN1 (0.46) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2921302 0.87 ACHE (0.47) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2920802 0.85 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL10037523 0.85 MEN1 (0.45) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL3024010 0.85 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2NPC1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2677996-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-11-29 — — EP disclosed
US-9522106-B2 Composition for dyeing keratinous fibres comprising a direct dye having a disulphide/thiol functional group, a thickening polymer, an ethoxylated fatty alcohol and/or a nonionic surfactant, an alkaline agent and a reducing agent L'OREAL (FR) 2016-12-20 — — US disclosed
US-9345652-B2 Composition for dyeing keratin fibres comprising a direct dye bearing a disulphide/thiol function, a sparingly or non-ethoxylated fatty alcohol, a cationic surfactant, an alkaline agent and a reducing agent L'OREAL (FR) 2016-05-24 — — US disclosed
US-9271915-B2 Composition for dyeing keratin fibres comprising a direct dye bearing a disulphide/thiol function, a non-cellulose-based thickening polymer, an alkaline agent and a reducing agent L'OREAL (FR) 2016-03-01 — — US disclosed
US-9265705-B2 Composition for dyeing keratin fibres comprising a direct dye bearing a disulphide/thiol function, a nonionic surfactant, an amphoteric surfactant, an ethoxylated fatty alcohol, an alkaline agent and a reducing agent L'OREAL (FR) 2016-02-23 — — US disclosed
US-8840684-B2 Process for dyeing keratin fibres using a direct dye bearing a disulfide/thiol/protected thiol function and water vapour L'OREAL (FR) 2014-09-23 — — US disclosed
US-20140137342-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULPHIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ETHOXYLATED FATTY ALCOHOL, AN ALKALINE AGENT AND A REDUCING AGENT L'OREAL (FR) 2014-05-22 — — US disclosed
US-20140075687-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'OREAL (FR) 2014-03-20 — — US disclosed
US-20140041132-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULPHIDE/THIOL FUNCTION, A NON-CELLULOSE-BASED THICKENING POLYMER, AN ALKALINE AGENT AND A REDUCING AGENT L'OREAL (FR) 2014-02-13 — — US disclosed
EP-2075036-B1 COMPOSITION FOR DYEING KERATIN CONTAINING FIBRES COMPRISING DISULFIDE DYES AND METHOD BASF SE (DE) 2013-11-06 — — EP disclosed
US-20130283544-A1 PROCESS FOR DYEING KERATIN FIBRES USING A DIRECT DYE BEARING A DISULFIDE/THIOL/PROTECTED THIOL FUNCTION AND WATER VAPOUR L'OREAL (FR) 2013-10-31 — — US disclosed
US-7828858-B2 Mixture of sulfide dyes CIBA CORPORATION (US) 2010-11-09 — — US disclosed
EP-2075036-A1 Disulfid dyes, composition comprising them and method of dyeing hair Ciba Holding Inc. (CH) 2009-07-01 — — EP disclosed
US-20090100610-A1 Mixture of Sulfide Dyes CIBA CORPORATION 2009-04-23 — — US disclosed
US-7488354-B2 Dyeing composition comprising at least one disulphide dye and method of dyeing human keratin fibers using this dye L'OREAL S.A. (FR) 2009-02-10 — — US disclosed
US-7476260-B2 Disulfide dyes, composition comprising them and method of dyeing hair CIBA SPECIALTY CHEMICALS CORP. (US) 2009-01-13 — — US disclosed
US-20080295260-A1 Disulfide Dyes, Composition Comprising them and Method of Dyeing Hair CIBA SPECIALTY CHEMICALS CORP. 2008-12-04 — — 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 (6 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-20130283544-A1 PROCESS FOR DYEING KERATIN FIBRES USING A DIRECT DYE BEARING A DISULFIDE/THIOL/PROTECTED THIOL FUNCTION AND WATER VAPOUR KRT18, TST, PDIA5 MEN1 4799/4885KMT2A 2864/4885MAPT 322/4885
US-20090100610-A1 Mixture of Sulfide Dyes KRT18, TST, ARSA MEN1 4052/4885KMT2A 2892/4885MAPT 1174/4885
US-20140137342-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULPHIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ETHOXYLATED FATTY ALCOHOL, AN ALKALINE AGENT AND A REDUCING AGENT KRT18, ANXA4, S100A4 MEN1 4449/4885KMT2A 1743/4885MAPT 2113/4885
US-20080295260-A1 Disulfide Dyes, Composition Comprising them and Method of Dyeing Hair STS, CYP2S1, SQOR MEN1 2919/4885KMT2A 4209/4885MAPT 4591/4885
US-20140041132-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULPHIDE/THIOL FUNCTION, A NON-CELLULOSE-BASED THICKENING POLYMER, AN ALKALINE AGENT AND A REDUCING AGENT KRT18, DSG1, KLK5 MEN1 4294/4885KMT2A 1290/4885MAPT 990/4885
US-20140075687-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT KRT18, ESD, ADH5 MEN1 4690/4885KMT2A 1426/4885MAPT 1257/4885

“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.

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