SCHEMBL5685366

SCHEMBL5685366

NCc1ccccc1-c1ccc(N)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
PTPRC P08575 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40

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
SCHEMBL6573470 0.87 DPP4 (0.47) DPP4TAAR1ALDH1A1NPC1RAB9A
SCHEMBL2455127 0.82 DPP4 (0.57) DPP4TAAR1ALDH1A1NPC1RAB9A
SCHEMBL28053536 0.82 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL5685661 0.81 ALDH1A1 (0.40) TAAR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5687750 0.80 SMN1; SMN2 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL27735945 0.79 DPP4 (0.50) DPP4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3787333 0.77 DPP4 (0.73) DPP4TAAR1PNMTCSNK2A2CSNK2B
SCHEMBL483397 0.77 CASP1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL29484239 0.77 CASP1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL3791666 0.76 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR

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 DPP4 3287/4885TAAR1 198/4885ALDH1A1 84/4885

“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.