SCHEMBL2940209

SCHEMBL2940209

Nc1cccc(O)c1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
KCNMA1 Q12791 1/20 0.48
ALDH1A1 P00352 4/20 0.47
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
MASP2 O00187 1/20 0.42
F2 P00734 1/20 0.42
TTR P02766 1/20 0.41
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40

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
SCHEMBL5684601 0.82 ALOX15 (0.53) MAPTLMNAKCNMA1ALDH1A1MASP2
Hydrochloric Acid SCHEMBL5684997 0.81 ALOX15 (0.51) MAPTLMNAKCNMA1ALDH1A1MASP2
SCHEMBL2938189 0.80 KIF11 (0.51) MAPTLMNAKCNMA1ALDH1A1TTR
SCHEMBL2936968 0.79 CSNK2A2 (0.44) MAPTLMNAALDH1A1CYP3A4MEN1
SCHEMBL2943017 0.78 POLB (0.50) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL2931277 0.77 MAPT (0.48) MAPTALDH1A1AKR1B1AKR1C4AKR1C3
SCHEMBL2935984 0.75 P2RX1 (0.43) MAPTLMNAKCNMA1ALDH1A1ALOX15
SCHEMBL204956 0.74 ALDH1A1 (0.64) MAPTLMNAALDH1A1CYP3A4MEN1
SCHEMBL1026402 0.74 ALDH1A1 (0.56) MAPTLMNAKCNMA1ALDH1A1TTR
SCHEMBL30515345 0.74 ALDH1A1 (0.64) MAPTLMNAALDH1A1CYP3A4MEN1

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 8 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
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US 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 MAPT 2150/4885LMNA 3101/4885KCNMA1 3550/4885

“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.