SCHEMBL2276208

SCHEMBL2276208

O=C(c1ccc2c(c1)cc(Cc1ccc(Cl)cc1)n2C1CCC1)N1CCC(c2cccnc2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
SPR P35270 1/20 0.49
HSD11B1 P28845 1/20 0.49
KMT2A Q03164 1/20 0.43
PROKR1 Q8TCW9 8/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
F10 P00742 1/20 0.41
FASN P49327 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL2276205 0.87 NAMPT (0.51) NAMPTSPRHSD11B1KMT2APROKR1
SCHEMBL2278465 0.82 NAMPT (0.51) NAMPTSPRHSD11B1KMT2APROKR1
SCHEMBL2282259 0.79 NAMPT (0.59) NAMPTSPRHSD11B1KMT2A
SCHEMBL2277920 0.79 NAMPT (0.51) NAMPTSPRHSD11B1KMT2APROKR1
SCHEMBL2282859 0.78 SPR (0.53) NAMPTSPRHSD11B1PROKR1CCNC
SCHEMBL2283721 0.76 NAMPT (0.58) NAMPTSPR
SCHEMBL2281994 0.76 SPR (0.54) NAMPTSPRHSD11B1PROKR1CCNC
SCHEMBL2282124 0.76 NAMPT (0.57) NAMPTSPRHSD11B1
SCHEMBL2280231 0.76 NAMPT (0.57) NAMPTSPRHRH3
SCHEMBL3469307 0.75 SPR (0.61) NAMPTSPRHSD11B1PROKR1CCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.