SCHEMBL6572272

SCHEMBL6572272

Nc1ccc(O)c(-c2ccccc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
APP P05067 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
SNCA P37840 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACMSD Q8TDX5 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
Hydrochloric Acid SCHEMBL6781023 0.98 PDE10A (0.44) PDE10ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5684806 0.86 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AMEN1POLB
SCHEMBL19486098 0.85 BRD4 (0.46) PDE10ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL25260661 0.84 BRD4 (0.51) SMN1; SMN2NPC1RAB9AMEN1POLB
SCHEMBL6573481 0.84 PDE10A (0.52) PDE10ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18338750 0.81 ACMSD (0.48) SMN1; SMN2NPC1MEN1KMT2AKDM4E
SCHEMBL29518540 0.81 PDE10A (0.64) PDE10ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9402506 0.81 PDE10A (0.64) PDE10ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL30880219 0.81 PDE10A (0.64) PDE10ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6570945 0.80 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9AMEN1POLB

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 11 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-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 WO 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-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 PDE10A 3016/4885SMN1; SMN2 3842/4885NPC1 2655/4885
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds AHR, KRT18, HMOX2 PDE10A 4026/4885SMN1; SMN2 4836/4885NPC1 4862/4885

“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.