SCHEMBL4146537

SCHEMBL4146537

NCc1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.53
DPP4 P27487 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRKCQ Q04759 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL69094 0.83 TSHR (0.53) PNMTMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL14228218 0.83 ALDH1A1 (0.45) MAPTMAPK1L3MBTL1ALDH1A1TSHR
SCHEMBL20476793 0.81 IDO1 (0.41) PNMTMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL669971 0.81 TSHR (0.44) PNMTDPP4LOXL2MAPTMAPK1
SCHEMBL68734 0.81 MAPT (0.41) PNMTMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL68857 0.81 ALDH1A1 (0.43) MAPTMAPK1L3MBTL1ALDH1A1TSHR
SCHEMBL670917 0.80 TSHR (0.58) MAPK1ALDH1A1TSHRTDP1GRIN2D
SCHEMBL22394589 0.79 HSP90AA1 (0.40) MAPTMAPK1L3MBTL1ALDH1A1TSHR
SCHEMBL11158851 0.79 USP7 (0.41) MAPTMAPK1L3MBTL1ALDH1A1TSHR
SCHEMBL1161547 0.78 LOXL2 (0.41) PNMTLOXL2TAAR1ALDH1A1TSHR

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-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-2004613-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-12-24 EP disclosed
WO-2007115077-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-10-11 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-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 PNMT 1204/4885DPP4 1385/4885LOXL2 3672/4885

“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.