SCHEMBL5163093

SCHEMBL5163093

NC(=O)Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.52
PARP10 Q53GL7 1/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
MAOB P27338 3/20 0.47
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL5351103 0.90 BACE1 (0.52) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL5164310 0.90 BACE1 (0.54) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL7814604 0.89 BACE1 (0.53) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL28855630 0.84 MEN1 (0.51) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL29901056 0.84 MEN1 (0.51) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL14191577 0.84 BACE1 (0.53) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL29901207 0.84 BACE1 (0.53) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL6598985 0.82 TSHR (0.49) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL4929920 0.82 BACE1 (0.54) BACE1PARP10MAPTMEN1KMT2A
SCHEMBL14355554 0.81 BACE1 (0.50) BACE1MAPTMEN1KMT2ANPC1

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 3 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 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 BACE1 4847/4885PARP10 3362/4885MAPT 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.