SCHEMBL2933331

SCHEMBL2933331

Nc1cccc(O)c1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 4/20 0.50
TSHR P16473 4/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 4/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
PKM P14618 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
MAPT P10636 3/20 0.47
TRPA1 O75762 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL2932844 0.84 GAA (0.50) GAATHRBALDH1A1LMNAMAPT
SCHEMBL2935125 0.82 GAA (0.43) GAATHRBALDH1A1TSHRALOX15
SCHEMBL2940670 0.82 TSHR (0.46) GAATHRBALDH1A1TSHRALOX15
SCHEMBL6541802 0.81 ALOX15 (0.57) GAATHRBALDH1A1TSHRALOX15
SCHEMBL9186952 0.81 ALDH1A1 (0.55) GAAALDH1A1TSHRALOX15LMNA
SCHEMBL2935984 0.80 P2RX1 (0.43) GAATHRBALDH1A1TSHRALOX15
SCHEMBL13290012 0.77 ALDH1A1 (0.56) ALDH1A1TSHRALOX15LMNAMAPT
SCHEMBL2936097 0.77 GAA (0.46) GAATHRBALDH1A1TSHRALOX15
SCHEMBL2933790 0.77 TSHR (0.50) ALDH1A1TSHRALOX15LMNAMAPT
3-Nitro-Phenol SCHEMBL28142776 0.76 TSHR (0.71) GAATHRBALDH1A1TSHRALOX15

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 GAA 3693/4885THRB 1103/4885ALDH1A1 107/4885

“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.