SCHEMBL2319934

SCHEMBL2319934

CC(OCn1cnc2cc(Cl)c(-c3ccc(-c4ccccc4)cc3)cc21)[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BRD4 O60885 2/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NR1I2 O75469 1/20 0.34
CDK9 P50750 3/20 0.33
F10 P00742 2/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PDE2A O00408 2/20 0.32
PDE1A P54750 2/20 0.32
PDE1B Q01064 2/20 0.32
PDE1C Q14123 2/20 0.32
MAPK14 Q16539 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL2358825 0.96 CYP11B1 (0.38) CYP11B1CYP11B2NPC1RAB9ABRD4
SCHEMBL2321351 0.78 POLB (0.37) NPC1RAB9ABRD4LMNAKCNH2
SCHEMBL2541710 0.76 POLB (0.37) NPC1RAB9ABRD4LMNAKCNH2
SCHEMBL2316785 0.74 PRKAG1 (0.36)
SCHEMBL7475809 0.74 TDP1 (0.53) CYP11B1CYP11B2LMNAMAPTHTT
SCHEMBL7017433 0.74 LCK (0.40) BRD4LMNAKDR
SCHEMBL7017087 0.74 AAK1 (0.40) BRD4
SCHEMBL7018562 0.71 POLB (0.36) CYP11B1CYP11B2NPC1RAB9ABRD4
SCHEMBL7016871 0.70 MAPT (0.41) CYP11B1CYP11B2BRD4MAPTPOLB
SCHEMBL7018800 0.70 MAPT (0.35) CYP11B1CYP11B2NPC1RAB9ALMNA

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-2348857-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8410284-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-04-02 US disclosed
US-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
EP-2348857-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2011-08-03 EP disclosed
WO-2010047982-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-29 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-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 CYP11B1 245/4885CYP11B2 211/4885NPC1 1099/4885

“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.