SCHEMBL2937072

SCHEMBL2937072

Nc1cccc(O)c1-c1cccnc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.42
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
MAPT P10636 7/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
ALDH1A1 P00352 4/20 0.38
CASP6 P55212 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSP90AA1 P07900 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CTSB P07858 2/20 0.38
BRD4 O60885 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL11901986 0.79 ALDH1A1 (0.45) HTTMAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL2932868 0.77 PDE10A (0.45) HTTCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL5685063 0.77 L3MBTL1 (0.46) HTTMAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL601835 0.76 HTT (0.50) HTTMAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL245234 0.76 MAPT (0.50) HTTMAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL30954607 0.76 MAPT (0.50) HTTMAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL2943017 0.76 POLB (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
Hydrochloric Acid SCHEMBL2163088 0.74 MAPT (0.49) HTTMAPTSMN1; SMN2TDP1ALDH1A1
Hydrochloric Acid SCHEMBL2163085 0.74 MAPT (0.49) HTTMAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL2936798 0.74 TSHR (0.38) HTTMAPTSMN1; SMN2TDP1ALDH1A1

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 12 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
CN-1646478-A 3-aminophenol derivatives substituted in the 2-position and colorants comprising the same P & G CLAIROL INC (US) 2005-07-27 CN 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
CN-1646478-A 3-aminophenol derivatives substituted in the 2-position and colorants comprising the same P & G CLAIROL INC (US) 2005-07-27 CN 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 HTT 4078/4885CSNK2A2 1129/4885CSNK2B 1121/4885

“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.