SCHEMBL5687682

SCHEMBL5687682

Nc1ccc(-c2ccncc2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.50
QDPR P09417 1/20 0.45
TSHR P16473 2/20 0.43
CASP1 P29466 1/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNA1 Q09470 1/20 0.42
PIK3CB P42338 1/20 0.42
FYN P06241 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 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
SCHEMBL13910989 0.86 IMPDH2 (0.49) IMPDH2QDPRTSHRCASP1MAPT
SCHEMBL16405694 0.83 IMPDH2 (0.53) IMPDH2TSHRMAPTALDH1A1TDP1
SCHEMBL3786781 0.82 CASP1 (0.50) TSHRCASP1MAPTALDH1A1KDM4E
SCHEMBL27777760 0.81 IMPDH2 (0.51) IMPDH2TSHRCASP1MAPTALDH1A1
SCHEMBL16405692 0.79 IMPDH2 (0.50) IMPDH2TSHRMAPTALDH1A1TDP1
SCHEMBL5684882 0.79 AXL (0.59) MAPTALDH1A1KDM4EMEN1NPC1
SCHEMBL3788108 0.78 ALOX5 (0.61) TSHRCASP1MAPTALDH1A1KDM4E
SCHEMBL5685027 0.78 CASP1 (0.52) TSHRCASP1MAPTALDH1A1SMN1; SMN2
SCHEMBL6997659 0.78 IMPDH2 (0.49) IMPDH2TSHRCASP1MAPTALDH1A1
SCHEMBL18034627 0.78 IMPDH2 (0.49) IMPDH2TSHRMAPTALDH1A1LMNA

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 IMPDH2 2794/4885QDPR 51/4885TSHR 2675/4885

“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.