SCHEMBL2434880

SCHEMBL2434880

CC1(C)OB(c2ccc(C(=O)NC3CCOC3)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.47
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
HPGDS O60760 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ABL1 P00519 1/20 0.40
USP30 Q70CQ3 1/20 0.40
KMT2A Q03164 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
SCHEMBL5197638 0.92 CA1 (0.47) NAMPTCA1CA2CA9HPGDS
SCHEMBL15739735 0.90 CA1 (0.49) CA1CA2CA9NPC1RAB9A
SCHEMBL103893 0.87 CA1 (0.51) CA1CA2CA9NPC1RAB9A
SCHEMBL4112154 0.84 NPC1 (0.56) CA1CA2CA9NPC1RAB9A
SCHEMBL1962378 0.83 NPC1 (0.58) CA1CA2CA9NPC1RAB9A
SCHEMBL26087371 0.82 CA1 (0.47) CA1CA2CA9HPGDSNPC1
SCHEMBL26087369 0.82 CA1 (0.47) CA1CA2CA9HPGDSNPC1
SCHEMBL1989732 0.80 HDAC4 (0.48) CA1CA2CA9NPC1RAB9A
SCHEMBL30326431 0.80 CA1 (0.47) CA1CA2CA9KMT2A
SCHEMBL25288985 0.78 HPGDS (0.51) CA1CA2CA9HPGDSUSP30

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-2538784-B1 BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2015-09-09 EP disclosed
US-8895596-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2014-11-25 US disclosed
EP-2538784-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2013-01-02 EP disclosed
US-20120309736-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DONME CORP 2012-12-06 US disclosed
WO-2011106273-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-01 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-20120309736-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 NAMPT 522/4885CA1 4864/4885CA2 2267/4885

“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.