SCHEMBL3786386

SCHEMBL3786386

CNc1ccc(N)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
CYP3A4 P08684 5/20 0.50
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.42
ALOX15 P16050 2/20 0.41
RECQL P46063 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ESR2 Q92731 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL3792814 0.82 TSHR (0.50) TSHRCYP3A4ALDH1A1GAACA12
SCHEMBL11593134 0.81 CYP3A4 (0.54) TSHRCYP3A4ALDH1A1MAPK1GAA
SCHEMBL30667273 0.78 EPHX1 (0.52) CYP3A4ALDH1A1GAACA2CA4
SCHEMBL856883 0.78 EPHX1 (0.52) CYP3A4ALDH1A1GAACA2CA4
SCHEMBL13548437 0.78 TDP1 (0.46) TSHRCYP3A4ALDH1A1ALOX15RECQL
SCHEMBL30724396 0.78 TDP1 (0.46) TSHRCYP3A4ALDH1A1ALOX15RECQL
SCHEMBL3791559 0.77 CYP3A4 (0.45) TSHRCYP3A4ALDH1A1MAPK1GAA
Hydrochloric Acid SCHEMBL11296739 0.76 TDP1 (0.44) TSHRCYP3A4ALDH1A1ALOX15RECQL
Hydrochloric Acid SCHEMBL1027315 0.76 EPHX1 (0.50) CYP3A4ALDH1A1GAACA2CA4
SCHEMBL18334947 0.75 CYP3A4 (0.49) TSHRCYP3A4ALDH1A1MAPK1GAA

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
EP-0146350-A2 Hair treatment composition UNILEVER PLC (GB) 1985-06-26 EP claimed
WO-2017038838-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-03-09 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-0640334-B1 Hair coloring composition BRISTOL MYERS SQUIBB CO (US) 2001-12-12 EP disclosed
CN-1070696-C Process and kit for dyeing hair BRISTOL MYERS SQUIBO CO (US) 2001-09-12 CN disclosed
CN-1070048-C Hair coloring composition BRISTOL MYERS SQUIBB CO (US) 2001-08-29 CN disclosed
EP-0658339-B1 Process and kit for dyeing hair BRISTOL MYERS SQUIBB CO (US) 2000-06-07 EP disclosed
EP-0658093-B1 PROCESS AND KIT FOR DYEING HAIR BRISTOL MYERS SQUIBB CO (US) 2000-06-07 EP disclosed
CN-1050992-C Method for dyeing hair and complete set of hair-dyestuff BRISTOL MYERS SQUIBB CO LTD (US) 2000-04-05 CN disclosed
EP-0621029-A1 Use of metal salts and chelates together with chlorites as oxidants in hair coloring Bristol-Myers Squibb Company (US) 1994-10-26 EP disclosed
EP-0658093-A4 PROCESS AND KIT FOR DYEING HAIR. BRISTOL MYERS SQUIBB CO (US) 1994-09-23 EP disclosed
CN-1074113-A Hair dyeing method and complete set of hair-dyestuff BRISTOL MILS SQIB CO LTD (US) 1993-07-14 CN disclosed
WO-1993005759-A1 PROCESS AND KIT FOR DYEING HAIR BRISTOL-MYERS SQUIBB COMPANY (US) 1993-04-01 WO disclosed
EP-0399746-B1 USE OF CHLORITES AS OXIDANTS IN HAIR COLORING Bristol-Myers Squibb Company (US) 1993-03-10 EP disclosed
EP-0507448-A2 Oxidative hair dyeing process with catalytic pretreatment Bristol-Myers Squibb Company (US) 1992-10-07 EP disclosed
EP-0399746-A1 Use of chlorites as oxidants in hair coloring Bristol-Myers Squibb Company (US) 1990-11-28 EP disclosed
EP-0146350-A2 Hair treatment composition UNILEVER PLC (GB) 1985-06-26 EP disclosed
US-4295848-A Composition for hair dyeing which contains a para base and an ortho base L'OREAL (FR) 1981-10-20 US disclosed
US-4268264-A ORTHO PRECURSORS SELECTED FROM AROMATIC DIAMINES, AMINOPHENOL, DIPHENOL, AND PHENYLENEDIAMINE L'OREAL (FR) 1981-05-19 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 (1 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TSHR 1688/4885CYP3A4 177/4885ALDH1A1 4339/4885

“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.