SCHEMBL2278765

SCHEMBL2278765

O=C(c1ccc2c(c1)nc(-c1cc(Cl)cc(Cl)c1)n2-c1cccnc1)N1CCC(c2cccnc2)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.55
SPR P35270 1/20 0.53
HSD11B1 P28845 1/20 0.46
HPGD P15428 9/20 0.45
PADI4 Q9UM07 2/20 0.44
MGLL Q99685 1/20 0.41
FASN P49327 1/20 0.40

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
SCHEMBL2280200 0.91 NAMPT (0.58) NAMPTSPRHSD11B1HPGDPADI4
SCHEMBL2279289 0.91 NAMPT (0.57) NAMPTSPRHPGDPADI4MGLL
SCHEMBL2281865 0.91 NAMPT (0.57) NAMPTSPRHSD11B1HPGDPADI4
SCHEMBL2283599 0.88 SPR (0.53) NAMPTSPRHSD11B1HPGDPADI4
SCHEMBL2282193 0.85 NAMPT (0.55) NAMPTSPRHSD11B1HPGDPADI4
SCHEMBL2281405 0.84 NAMPT (0.55) NAMPTSPRHPGDPADI4
SCHEMBL2282957 0.84 NAMPT (0.54) NAMPTSPRHPGDPADI4MGLL
SCHEMBL2278753 0.83 SPR (0.53) NAMPTSPRHSD11B1HPGDPADI4
SCHEMBL2284899 0.83 NAMPT (0.62) NAMPTSPRHSD11B1HPGDPADI4
SCHEMBL2280644 0.83 NAMPT (0.51) NAMPTSPRHSD11B1HPGDPADI4

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 8 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-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-08-24 EP claimed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO 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 NAMPT 1938/4885SPR 3835/4885HSD11B1 3304/4885

“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.