SCHEMBL10104456

SCHEMBL10104456

CC[n+]1ccc(N=Nc2ccc(NCCSSCCNc3ccc(N=Nc4cc[n+](CC)cc4)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL10104454 0.93 ADRA2A (0.34) ADRA2AADRA2BADRA2C
SCHEMBL12531421 0.84 MAPT (0.33) ADRA2AADRA2BADRA2CMAPTCA12
SCHEMBL10104459 0.84 MAPT (0.33) ADRA2AADRA2BADRA2CMAPTCA12
SCHEMBL18774205 0.81
SCHEMBL10104464 0.79 ADRA2A (0.33) ADRA2AADRA2BADRA2CMAPTCA12
SCHEMBL10104068 0.79 KDM4A (0.38) MAPT
SCHEMBL16070320 0.78 ADRA2A (0.33) ADRA2AADRA2BADRA2CCA12CA2
SCHEMBL13924741 0.77 PABPC1 (0.36)
SCHEMBL12861149 0.77 ADRA2A (0.36) ADRA2AADRA2BADRA2CMAPTCA12
SCHEMBL10104002 0.72

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
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-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-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-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
EP-2336248-A1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye L'Oréal (FR) 2011-06-22 EP disclosed
EP-2333018-A1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye L'Oréal (FR) 2011-06-15 EP disclosed
EP-2330160-A1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye L'Oréal (FR) 2011-06-08 EP disclosed
EP-1647580-B1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye. OREAL (FR) 2011-02-16 EP 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
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-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
EP-2053094-A2 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition L'Oréal (FR) 2009-04-29 EP 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
EP-2018847-A1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. L'Oreal (FR) 2009-01-28 EP 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 (3 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 ADRA2A 3905/4885ADRA2B 3578/4885ADRA2C 3975/4885
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 ADRA2A 4212/4885ADRA2B 4146/4885ADRA2C 4216/4885
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 ADRA2A 4484/4885ADRA2B 4228/4885ADRA2C 4121/4885

“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.