SCHEMBL5164822

SCHEMBL5164822

Nc1ccc(O)cc1CC(=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 2/20 0.53
MAPK1 P28482 2/20 0.53
HDAC1 Q13547 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KCNMA1 Q12791 1/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL5163222 0.82 MAPT (0.53) MEN1KMT2AMAPTHDAC1RAB9A
SCHEMBL5159733 0.81 MEN1 (0.59) MEN1KMT2AHDAC1RAB9AGAA
SCHEMBL5163655 0.80 RAB9A (0.48) MEN1KMT2AMAPTRAB9AGAA
SCHEMBL5159762 0.80 KMT2A (0.51) MEN1KMT2AMAPTMAPK1RAB9A
SCHEMBL5164555 0.80 HPGD (0.55) MAPTMAPK1HDAC1RAB9AALDH1A1
SCHEMBL5162715 0.80 KMT2A (0.50) MEN1KMT2AHDAC1RAB9AGAA
SCHEMBL5162086 0.79 ALDH1A1 (0.61) MEN1KMT2AMAPTHDAC1RAB9A
SCHEMBL5161789 0.79 KMT2A (0.53) MEN1KMT2AMAPTHDAC1GAA
SCHEMBL5162988 0.77 POLB (0.50) MEN1KMT2AHDAC1RAB9AGAA
SCHEMBL5164585 0.77 KCNQ2 (0.53) MEN1KMT2AMAPTHDAC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
EP-1762218-A1 4-aminophenol derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-14 EP claimed
WO-2007026313-A2 4-AMINOPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO claimed
US-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US disclosed
EP-1762218-A1 4-aminophenol derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-14 EP disclosed
WO-2007026313-A2 4-AMINOPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 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-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds KRT18, S100A4, CKAP4 MEN1 4874/4885KMT2A 1287/4885MAPT 460/4885

“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.