SCHEMBL2280197

SCHEMBL2280197

O=C(c1ccc2c(c1)nc(C1CCC1)n2-c1ccc(OC(F)(F)F)cc1)N1CCC(c2cccnc2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
NAMPT P43490 3/20 0.51
EPHX2 P34913 1/20 0.43
SPR P35270 1/20 0.42
HTR2B P41595 1/20 0.41
MAPK7 Q13164 11/20 0.41
SCN9A Q15858 1/20 0.40
PADI4 Q9UM07 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
SCHEMBL2282725 0.98 HPGD (0.56) HPGDNAMPTEPHX2SPRHTR2B
SCHEMBL2281363 0.90 NAMPT (0.52) HPGDNAMPTEPHX2SPRHTR2B
SCHEMBL2277906 0.90 NAMPT (0.52) HPGDNAMPTEPHX2SPRMAPK7
SCHEMBL2283714 0.89 NAMPT (0.51) HPGDNAMPTEPHX2SPRHTR2B
SCHEMBL2277871 0.89 NAMPT (0.51) HPGDNAMPTEPHX2SPRHTR2B
SCHEMBL2279428 0.89 NAMPT (0.51) HPGDNAMPTEPHX2SPRHTR2B
SCHEMBL2286051 0.88 NAMPT (0.52) HPGDNAMPTEPHX2SPRHTR2B
SCHEMBL2286262 0.88 NAMPT (0.50) HPGDNAMPTEPHX2SPRHTR2B
SCHEMBL2285457 0.87 NAMPT (0.49) HPGDNAMPTEPHX2SPRHTR2B
SCHEMBL2283700 0.87 NAMPT (0.49) HPGDNAMPTEPHX2SPRHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP claimed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US claimed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US claimed
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 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 (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-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 HPGD 1081/4885NAMPT 1938/4885EPHX2 449/4885

“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.