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SCHEMBL3481373

SCHEMBL3481373

CS(=O)(=O)NC(=O)c1cccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 15/20 0.75
▸ PRKAB1 Q9Y478 15/20 0.75
▸ PRKAA2 P54646 13/20 0.75
▸ PRKAA1 Q13131 5/20 0.61
▸ PRKAB2 O43741 1/20 0.61
▸ TFDP2 Q14188 1/20 0.61
▸ PRKAG3 Q9UGI9 1/20 0.61
▸ PRKAG2 Q9UGJ0 1/20 0.61
▸ BCL2L1 Q07817 2/20 0.42
▸ MCL1 Q07820 2/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIA1 P42261 1/20 0.42
▸ GRIA2 P42262 1/20 0.42
▸ GRIA3 P42263 1/20 0.42
▸ GRIA4 P48058 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42

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
SCHEMBL3481244 0.90 PRKAG1 (0.74) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3482006 0.86 PRKAG1 (0.77) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481032 0.86 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3032055 0.82 PRKAG1 (0.67) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481407 0.80 PRKAG1 (0.71) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL2547736 0.79 PRKAG1 (0.69) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL12241833 0.79 PRKAG1 (0.72) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3482038 0.79 PRKAG1 (0.69) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL12241666 0.79 PRKAG1 (0.72) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437305 0.78 PRKAG1 (0.68) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2

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
US-8394969-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2013-03-12 — — US disclosed
US-8394969-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2013-03-12 — — US disclosed
US-8394969-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2013-03-12 — — US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 — — US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 — — US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 — — 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-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 PRKAG1 2/4885PRKAB1 5/4885PRKAA2 12/4885

“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.