SCHEMBL2943017

SCHEMBL2943017

Nc1cccc(O)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
GPR35 Q9HC97 2/20 0.50
CASP6 P55212 2/20 0.50
MAPT P10636 2/20 0.50
APEX1 P27695 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
S100A4 P26447 2/20 0.46
PTPRC P08575 1/20 0.46
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 1/20 0.46
PDE7A Q13946 1/20 0.45
GAA P10253 2/20 0.44

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
SCHEMBL2938315 0.86 TDP1 (0.51) POLBGPR35CASP6MAPTAPEX1
SCHEMBL2936968 0.83 CSNK2A2 (0.44) POLBGPR35CASP6MAPTAPEX1
SCHEMBL2936060 0.81 ALDH1A1 (0.46) POLBGPR35CASP6MAPTAPEX1
SCHEMBL5707256 0.81 ALDH1A1 (0.59) POLBGPR35CASP6MAPTAPEX1
SCHEMBL5712442 0.80 CSNK2A2 (0.47) POLBGPR35CASP6MAPTAPEX1
Nitrophenolate SCHEMBL11233778 0.79 GPR35 (0.55) GPR35ALDH1A1TDP1SMN1; SMN2HPGD
SCHEMBL2931277 0.78 MAPT (0.48) MAPTALDH1A1TDP1KMT2ASMN1; SMN2
SCHEMBL2940209 0.78 MAPT (0.52) MAPTCSNK2A2CSNK2BCSNK2A1CSNK2A3
2-Nitroaniline SCHEMBL20873614 0.78 ALOX15 (0.58) POLBGPR35MAPTALDH1A1TDP1
Nitrophenolate SCHEMBL28125078 0.78 ALOX15 (0.58) GPR35ALDH1A1SMN1; SMN2HPGDPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
US-7033401-B2 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AG (DE) 2006-04-25 US claimed
EP-1494995-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2005-01-12 EP claimed
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US claimed
WO-2003087034-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 WO claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP disclosed
US-7033401-B2 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AG (DE) 2006-04-25 US disclosed
EP-1494995-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2005-01-12 EP disclosed
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US disclosed
WO-2003087034-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS 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-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds ALPP, TYR, RB1 POLB 3840/4885GPR35 2415/4885CASP6 2752/4885

“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.