SCHEMBL5685355

SCHEMBL5685355

Nc1ccc(-c2ccncn2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CASP6 P55212 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
TYR P14679 1/20 0.38
KDM1A O60341 3/20 0.37
EGFR P00533 4/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAP4K4 O95819 2/20 0.36
FRK P42685 2/20 0.36
MAPK9 P45984 2/20 0.36
CSNK1A1 P48729 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL28290775 0.81 EGFR (0.43) HSP90AA1NPC1RAB9ATSHREGFR
SCHEMBL7085680 0.80 HSP90AA1 (0.42) HSP90AA1KDM4CTSHREGFRMAPK1
SCHEMBL27426787 0.77 TYR (0.40) HSP90AA1CASP6TYREGFRMAP4K4
SCHEMBL2650530 0.77 MAP4K4 (0.43) HSP90AA1CASP6KDM1AEGFRMAP4K4
SCHEMBL16370824 0.77 AAK1 (0.51) HSP90AA1KDM4CTSHRMAPK1HSD17B10
SCHEMBL5687683 0.76 KDM1A (0.59) HSP90AA1NPC1RAB9AKDM4CTSHR
SCHEMBL1445131 0.76 CASP6 (0.45) CASP6KDM1AHSD17B10ALDH1A1
SCHEMBL30531925 0.76 CASP6 (0.45) CASP6KDM1AHSD17B10ALDH1A1
SCHEMBL28592300 0.76 TSHR (0.42) NPC1RAB9AKDM4CTSHRCASP1
Hydrochloric Acid SCHEMBL5687735 0.75 KDM1A (0.57) HSP90AA1NPC1RAB9AKDM4CTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7077872-B2 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives WELLA AG (DE) 2006-07-18 US disclosed
EP-1418879-B1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AG (DE) 2006-04-12 EP disclosed
US-20040200010-A1 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives WELLA AKTIENGESELLSCHAFT (DE) 2004-10-14 US disclosed
EP-1418879-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES Wella Aktiengesellschaft (DE) 2004-05-19 EP disclosed
WO-2003017955-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2003-03-06 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 (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-20040200010-A1 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives KRT18, S100P, ALDH7A1 HSP90AA1 2310/4885NPC1 4810/4885RAB9A 4733/4885

“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.