SCHEMBL10104007

SCHEMBL10104007

Cn1c(N=Nc2ccc(NCCSSCCNc3ccc(N=Nc4n(C)c5ccccc5[n+]4C)cc3)cc2)[n+](C)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 2/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ERAP1 Q9NZ08 1/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.32
APP P05067 2/20 0.32
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL12531427 1.00 MAPT (0.47) MAPTKDM4ERAB9APKMMAPK1
SCHEMBL10104005 0.95 MAPT (0.44) MAPTKDM4ERAB9APKMMAPK1
SCHEMBL20323027 0.87 MAPT (0.48) MAPTKDM4ERAB9APKMMAPK1
SCHEMBL20323030 0.74 RAB9A (0.57) MAPTKDM4ERAB9APKMMAPK1
SCHEMBL12531404 0.74 MAPT (0.77) MAPTKDM4ERAB9APKMMAPK1
SCHEMBL13914238 0.74 RAB9A (0.57) MAPTKDM4ERAB9APKMMAPK1
SCHEMBL10104298 0.73
SCHEMBL10104002 0.73
SCHEMBL12531421 0.71 MAPT (0.33) MAPTKDM4ERAB9AKMT2ANPC1
SCHEMBL10104459 0.71 MAPT (0.33) MAPTKDM4ERAB9AKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651374-B1 PROCESS FOR DYEING KERATIN FIBRES USING A DIRECT DYE BEARING A DISULFIDE/THIOL/PROTECTED THIOL FUNCTION AND WATER VAPOUR L'ORÉAL (FR) 2018-02-28 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
US-8097044-B2 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping and dyeing processes L'OREAL S.A. (FR) 2012-01-17 US disclosed
US-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes L'OREAL S.A. (FR) 2009-05-21 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

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

For each of this compound's patents that has machine-readable text (5 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 MAPT 322/4885KDM4E 2272/4885RAB9A 4293/4885
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 MAPT 2113/4885KDM4E 619/4885RAB9A 4549/4885
US-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes KRT18, DSG1, ALPG MAPT 960/4885KDM4E 992/4885RAB9A 4038/4885
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 MAPT 990/4885KDM4E 350/4885RAB9A 4672/4885
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 MAPT 1257/4885KDM4E 428/4885RAB9A 4812/4885

“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.