SCHEMBL737656

SCHEMBL737656

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
G6PD P11413 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.43
GBA1 P04062 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL15767609 0.86 MEN1 (0.54) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL17886503 0.84 MEN1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL9192883 0.83 CYP1A2 (0.52) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL5115395 0.83 ALDH1A1 (0.56) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL5115398 0.83 ALDH1A1 (0.56) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL3449044 0.83 ALDH1A1 (0.56) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL4728329 0.78 ALDH1A1 (0.50) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL22499474 0.78 ALDH1A1 (0.50) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL18781780 0.78 ALDH1A1 (0.50) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL738871 0.78 KMT2A (0.61) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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 ALDH1A1 2502/4885TDP1 3178/4885MAPT 1466/4885
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS TRPV1, CNR1, CNR2 ALDH1A1 2949/4885TDP1 4222/4885MAPT 2409/4885

“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.