SCHEMBL5712436

SCHEMBL5712436

Nc1cccc(O)c1-c1ccc([N+](=O)[O-])s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
GPR35 Q9HC97 2/20 0.40
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
ALOX5 P09917 1/20 0.37
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
APP P05067 1/20 0.34
ALDH1A1 P00352 3/20 0.34
STAT3 P40763 1/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 2/20 0.33

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
SCHEMBL6068076 0.92 CYP2A6 (0.49) CYP2A6GPR35CSNK2A2CSNK2BCSNK2A1
SCHEMBL5712509 0.75 ALDH1A1 (0.47) GPR35CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL5712519 0.75 STAT3 (0.37) GPR35CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL5712508 0.75 ALOX15 (0.41) CYP2A6CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL5712467 0.74 GAA (0.44) GPR35CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL5712477 0.74 GPR35 (0.38) GPR35CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL5712445 0.72 HSD17B1 (0.50) CYP2A6LMNAHTTGAAMAPT
SCHEMBL5712450 0.72 HSD17B1 (0.44) CYP2A6CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL5712470 0.72 ALDH1A1 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3LMNA
SCHEMBL5712448 0.72 DPP4 (0.42) CYP2A6CSNK2A2CSNK2BCSNK2A1CSNK2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132001-B2 3-aminophenol derivatives and dyes that contain these compounds while serving to dye keratin fibers WELLA AG (DE) 2006-11-07 US claimed
EP-1495015-B1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS WELLA AG (DE) 2006-04-12 EP claimed
CN-1646518-A 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2005-07-27 CN claimed
EP-1495015-A1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS Wella Aktiengesellschaft (DE) 2005-01-12 EP claimed
US-20040231064-A1 3-Aminophenol derivatives and dyes that contain these compounds while serving to dye keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2004-11-25 US claimed
WO-2003087084-A1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 WO claimed
CN-100549003-C 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2009-10-14 CN disclosed
US-7132001-B2 3-aminophenol derivatives and dyes that contain these compounds while serving to dye keratin fibers WELLA AG (DE) 2006-11-07 US disclosed
EP-1495015-B1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS WELLA AG (DE) 2006-04-12 EP disclosed
CN-1646518-A 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2005-07-27 CN disclosed
EP-1495015-A1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS Wella Aktiengesellschaft (DE) 2005-01-12 EP disclosed
US-20040231064-A1 3-Aminophenol derivatives and dyes that contain these compounds while serving to dye keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2004-11-25 US disclosed
WO-2003087084-A1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 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-20040231064-A1 3-Aminophenol derivatives and dyes that contain these compounds while serving to dye keratin fibers KRT18, JUP, IK CYP2A6 1364/4885GPR35 3041/4885CSNK2A2 322/4885

“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.