SCHEMBL5685472

SCHEMBL5685472

Nc1ccc(-c2ncccc2F)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 4/20 0.42
GABRG2 P18507 7/20 0.40
GABRB3 P28472 7/20 0.40
GABRA5 P31644 7/20 0.40
GABRA3 P34903 7/20 0.40
GABRA1 P14867 6/20 0.40
TSHR P16473 2/20 0.40
CASP1 P29466 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM1A O60341 3/20 0.38

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
SCHEMBL30549074 0.83 GABRG2 (0.51) NPC1KDM4EGABRG2GABRB3GABRA5
SCHEMBL2651744 0.83 GABRG2 (0.51) NPC1KDM4EGABRG2GABRB3GABRA5
SCHEMBL7088757 0.81 GABRG2 (0.42) NPC1RAB9AKDM4EGABRG2GABRB3
SCHEMBL5688111 0.80 TSHR (0.48) NPC1RAB9AKDM4ETSHRCASP1
SCHEMBL5687656 0.80 NPC1 (0.48) NPC1RAB9AKDM4ETSHRCASP1
SCHEMBL5684558 0.80 TSHR (0.47) NPC1RAB9AKDM4ETSHRCASP1
SCHEMBL28480001 0.79 KDM4E (0.50) NPC1KDM4EGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL5685128 0.79 TSHR (0.47) NPC1RAB9AKDM4ETSHRCASP1
SCHEMBL5687944 0.75 L3MBTL1 (0.53) NPC1RAB9AKDM4ETSHRALDH1A1
SCHEMBL5685338 0.75 NPC1 (0.49) NPC1RAB9AKDM4ETSHRCASP1

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 NPC1 4810/4885RAB9A 4733/4885KDM4E 497/4885

“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.