Sugi Predict

Sugi Predict / Compounds / SCHEMBL3481272

SCHEMBL3481272

SCHEMBL3481272

CN1CCOc2cc(-c3cc4nc(Oc5ccc(CC(=O)O)cc5)[nH]c4cc3Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 13/20 0.47
▸ PRKAB1 Q9Y478 13/20 0.47
▸ PRKAA1 Q13131 10/20 0.47
▸ PRKAA2 P54646 6/20 0.47
▸ PRKAB2 O43741 1/20 0.46
▸ TFDP2 Q14188 1/20 0.46
▸ PRKAG3 Q9UGI9 1/20 0.46
▸ PRKAG2 Q9UGJ0 1/20 0.46
▸ PDCD1 Q15116 2/20 0.37
▸ CD274 Q9NZQ7 2/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36

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
SCHEMBL13402672 0.85 PRKAG1 (0.66) PRKAG1PRKAB1PRKAA1PRKAA2PRKAB2
Hydrochloric Acid SCHEMBL3481188 0.85 PRKAG1 (0.65) PRKAG1PRKAB1PRKAA1PRKAA2PRKAB2
SCHEMBL3481354 0.83 PRKAG1 (0.55) PRKAG1PRKAB1PRKAA1PRKAA2PRKAB2
SCHEMBL3481298 0.80 PRKAB1 (0.72) PRKAG1PRKAB1PRKAA1PRKAA2PRKAB2
SCHEMBL3481286 0.79 PRKAG1 (0.53) PRKAG1PRKAB1PRKAA1PRKAA2PRKAB2
SCHEMBL3481197 0.79 PRKAG1 (0.70) PRKAG1PRKAB1PRKAA1PRKAA2PRKAB2
SCHEMBL13402657 0.73 PRKAG1 (0.62) PRKAG1PRKAB1PRKAA1PRKAA2PRKAB2
SCHEMBL3481097 0.73 PRKAG1 (0.72) PRKAG1PRKAB1PRKAA1PRKAA2PRKAB2
SCHEMBL3481296 0.72 PRKAG1 (0.73) PRKAG1PRKAB1PRKAA1PRKAA2PRKAB2
SCHEMBL3481168 0.71 PRKAG1 (0.69) PRKAG1PRKAB1PRKAA1PRKAA2PRKAB2

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 5/4885PRKAA1 13/4885

“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.