SCHEMBL736708

SCHEMBL736708

Cc1cccc([N+](=O)[O-])c1NCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 6/20 0.48
PKM P14618 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL6528819 0.85 CYP2D6 (0.58) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL737318 0.80 MEN1 (0.62) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL5167871 0.79 KMT2A (0.53) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL22995880 0.78 ALDH1A1 (0.55) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL3632327 0.76 TSHR (0.51) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL22456590 0.76 MAPT (0.66) KMT2AALDH1A1POLBMAPTPKM
SCHEMBL22456073 0.76 MAPT (0.67) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL6527214 0.76 MAPT (0.58) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL26640646 0.73 MAPT (0.66) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL7972316 0.72 MAPT (0.72) MEN1KMT2AALDH1A1POLBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138177-B2 Benzimidazolone derivatives as CB2 receptor ligands PFIZER INC. (US) 2012-03-20 US disclosed
EP-1861377-B1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER (US) 2010-12-29 EP disclosed
US-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES PFIZER INC 2009-12-03 US disclosed
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS ANDO KAZUO 2009-07-16 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 (2 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-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES TRPV1, CNR1, CNR2 MEN1 2819/4885KMT2A 4384/4885ALDH1A1 2502/4885
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS TRPV1, CNR1, CNR2 MEN1 3613/4885KMT2A 4607/4885ALDH1A1 2949/4885

“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.