SCHEMBL5712467

SCHEMBL5712467

Nc1cccc(O)c1-c1cc([N+](=O)[O-])cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 6/20 0.39
TSHR P16473 4/20 0.39
ALOX15 P16050 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
GPR35 Q9HC97 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
PDE7A Q13946 1/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL6067941 0.93 TSHR (0.44) GAATHRBALDH1A1TSHRALOX15
SCHEMBL5712543 0.77 ALOX15 (0.39) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL2933331 0.75 GAA (0.51) GAATHRBALDH1A1TSHRALOX15
SCHEMBL5705069 0.75 ALOX15 (0.47) GAATHRBALDH1A1TSHRALOX15
SCHEMBL5712477 0.74 GPR35 (0.38) GAATHRBALDH1A1ALOX15MEN1
SCHEMBL5712444 0.74 TSHR (0.37) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL5712512 0.74 TSHR (0.36) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL2932844 0.74 GAA (0.50) GAATHRBALDH1A1MEN1KMT2A
SCHEMBL5712436 0.74 CYP2A6 (0.43) GAATHRBALDH1A1TSHRALOX15
SCHEMBL5712518 0.74 ALOX15 (0.33) THRBALDH1A1TSHRALOX15MEN1

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 GAA 4524/4885THRB 3021/4885ALDH1A1 316/4885

“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.