SCHEMBL13694977

SCHEMBL13694977

CN(C)c1ccc(/C=C/c2cc[n+](CCSc3cccc[n+]3C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 6/20 0.50
▸ KDM2A Q9Y2K7 6/20 0.50
▸ RELA Q04206 1/20 0.49
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ MAPT P10636 4/20 0.48
▸ HTT P42858 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ GFER P55789 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ THRB P10828 2/20 0.48
▸ ALPG P10696 1/20 0.48
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ BRCA1 P38398 1/20 0.44

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
SCHEMBL14393537 0.79 MEN1 (0.47) KDM4AKDM2ARELAMEN1KMT2A
SCHEMBL10104166 0.78 KDM4A (0.63) KDM4AKDM2ARELAMEN1KMT2A
SCHEMBL19649090 0.77 KDM4A (0.61) KDM4AKDM2ARELAMEN1KMT2A
Bromide SCHEMBL339321 0.77 KDM4A (0.61) KDM4AKDM2ARELAMEN1KMT2A
Bromide SCHEMBL339322 0.77 KDM4A (0.61) KDM4AKDM2ARELAMEN1KMT2A
SCHEMBL14984144 0.76 KDM4A (0.73) KDM4AKDM2ARELAMEN1KMT2A
SCHEMBL13694981 0.76 KDM4A (0.48) KDM4AKDM2ARELAMEN1KMT2A
SCHEMBL12657258 0.76 RAB9A (0.43) KDM4AKDM2ARELAMEN1KMT2A
SCHEMBL12201183 0.74 KDM4A (0.58) KDM4AKDM2ARELAMEN1KMT2A
SCHEMBL19903920 0.73 KDM4A (0.61) KDM4AKDM2ARELAMEN1KMT2A

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 12 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
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
WO-2009109457-A2 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING AT LEAST ONE DIRECT DYE COMPRISING A DISULPHIDE/PROTECTED-THIOL FUNCTION AND AT LEAST ONE SILICEOUS COMPOUND COMPRISING A THIOL FUNCTION AND METHOD USING THE COMPOSITION L'OREAL (FR) 2009-09-11 — — WO disclosed
WO-2007110538-A2 DYEING COMPOSITION CONTAINING A MASKED THIOL FLUORESCENT COLORANT COMPRISING A DIMETHYLAMINO GROUP, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT AND DISULPHIDE COLORANTS L'ORÉAL (FR) 2007-10-04 — — WO 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 (4 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 KDM4A 1624/4885KDM2A 2015/4885RELA 4199/4885
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 KDM4A 569/4885KDM2A 1168/4885RELA 3107/4885
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 KDM4A 238/4885KDM2A 808/4885RELA 4037/4885
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 KDM4A 348/4885KDM2A 991/4885RELA 2385/4885

“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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