SCHEMBL738871

SCHEMBL738871

COc1cccc([N+](=O)[O-])c1NC(=O)CN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 2/20 0.61
PKM P14618 1/20 0.61
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
LMNA P02545 1/20 0.51
MAPK1 P28482 2/20 0.50
USP2 O75604 1/20 0.50
HTT P42858 1/20 0.49

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 0.80 CYP2D6 (0.58) KMT2AMEN1PKMALDH1A1KDM4E
SCHEMBL2966346 0.79 POLB (0.70) KMT2AMEN1PKMALDH1A1KDM4E
SCHEMBL737656 0.78 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL15767609 0.78 MEN1 (0.54) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1643927 0.77 ALDH1A1 (0.76) KMT2AMEN1PKMALDH1A1KDM4E
SCHEMBL16098653 0.76 KMT2A (0.84) KMT2AMEN1PKMALDH1A1KDM4E
SCHEMBL29483735 0.76 KMT2A (1.00) KMT2AMEN1PKMALDH1A1GAA
SCHEMBL9192883 0.75 CYP1A2 (0.52) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL5115398 0.74 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL5115395 0.74 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1KDM4EGAA

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 KMT2A 4384/4885MEN1 2819/4885PKM 3620/4885
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS TRPV1, CNR1, CNR2 KMT2A 4607/4885MEN1 3613/4885PKM 4237/4885

“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.