SCHEMBL2644517

SCHEMBL2644517

Cc1nc(-c2ccc([O])cn2)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 3/20 0.40
PLK1 P53350 1/20 0.40
MAPT P10636 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.36
CASP3 P42574 3/20 0.36

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
SCHEMBL14848254 0.82 CCR1 (0.54) L3MBTL1CA12CA1CA2CA9
SCHEMBL29972725 0.79 L3MBTL1 (0.43) L3MBTL1CA12CA1CA2CA9
SCHEMBL6669276 0.79 L3MBTL1 (0.43) L3MBTL1CA12CA1CA2CA9
SCHEMBL1656292 0.79 L3MBTL1 (0.43) L3MBTL1KDM4EPLK1MAPTHSD17B10
SCHEMBL14761932 0.79 L3MBTL1 (0.40) L3MBTL1CA12CA1CA2CA9
SCHEMBL30444561 0.79 L3MBTL1 (0.40) L3MBTL1CA12CA1CA2CA9
SCHEMBL24921562 0.78 RAB9A (0.56) L3MBTL1KDM4EMAPTHSD17B10GAA
SCHEMBL14946757 0.77 CASP3 (0.42) L3MBTL1CA12CA1CA2CA9
SCHEMBL15495537 0.76 CASP3 (0.56) L3MBTL1KDM4EPLK1MAPTNPSR1
SCHEMBL13114624 0.76 L3MBTL1 (0.40) L3MBTL1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP claimed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 L3MBTL1 2125/4885CA12 3942/4885CA1 3408/4885

“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.