SCHEMBL3786791

SCHEMBL3786791

Nc1ccc(O)c(-c2ccccc2N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
PDE10A Q9Y233 1/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
ALOX15 P16050 4/20 0.46
HSD17B10 Q99714 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
APP P05067 1/20 0.46
SNCA P37840 1/20 0.46

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
SCHEMBL6573481 0.87 PDE10A (0.52) ALDH1A1L3MBTL1PDE10AMEN1KMT2A
SCHEMBL3791666 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1PDE10AMEN1KMT2A
SCHEMBL6572324 0.85 PDE10A (0.54) ALDH1A1L3MBTL1PDE10AMEN1KMT2A
SCHEMBL29518540 0.84 PDE10A (0.64) ALDH1A1L3MBTL1PDE10AMEN1KMT2A
SCHEMBL9402506 0.84 PDE10A (0.64) ALDH1A1L3MBTL1PDE10AMEN1KMT2A
SCHEMBL30880219 0.84 PDE10A (0.64) ALDH1A1L3MBTL1PDE10AMEN1KMT2A
SCHEMBL6782469 0.84 PDE10A (0.45) ALDH1A1L3MBTL1PDE10AMEN1KMT2A
SCHEMBL6573855 0.84 PDE10A (0.45) ALDH1A1L3MBTL1PDE10AMEN1KMT2A
SCHEMBL6573277 0.83 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1PDE10AMEN1KMT2A
SCHEMBL28136101 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP claimed
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
US-6749644-B2 DEVELOPER AND COUPLER; WIDE RANGE OF DIFFERENT COLOR SHADES FROM BLOND TO BROWN, PURPLE, VIOLET AND EVEN BLUE AND BLACK; INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP disclosed
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-14 US disclosed
EP-1208077-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-05-29 EP disclosed
WO-2002002507-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-01-10 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 (2 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 ALDH1A1 4339/4885L3MBTL1 3838/4885PDE10A 3386/4885
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds AHR, KRT18, HMOX2 ALDH1A1 20/4885L3MBTL1 4512/4885PDE10A 4026/4885

“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.