Sugi Predict

Sugi Predict / Compounds / SCHEMBL3481296

SCHEMBL3481296

SCHEMBL3481296

Cc1ccc(Oc2nc3cc(-c4ccc5c(c4)OCCO5)c(Cl)cc3[nH]2)cc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 16/20 0.73
▸ PRKAB1 Q9Y478 16/20 0.73
▸ PRKAA2 P54646 13/20 0.73
▸ PRKAA1 Q13131 11/20 0.73
▸ PRKAB2 O43741 6/20 0.73
▸ PRKAG3 Q9UGI9 6/20 0.73
▸ PRKAG2 Q9UGJ0 6/20 0.73
▸ TFDP2 Q14188 1/20 0.73
▸ FABP4 P15090 1/20 0.43
▸ TP53 P04637 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 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
SCHEMBL13402672 0.88 PRKAG1 (0.66) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
Hydrochloric Acid SCHEMBL3481188 0.87 PRKAG1 (0.65) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13403018 0.87 PRKAG1 (0.84) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481707 0.86 PRKAG1 (0.71) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
Ammonia Solution, Strong SCHEMBL3481661 0.86 PRKAG1 (0.82) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
Ammonia Solution, Strong SCHEMBL3481655 0.86 PRKAG1 (0.82) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437486 0.85 PRKAG1 (0.87) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437415 0.85 PRKAG1 (0.87) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481039 0.85 PRKAG1 (0.86) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437492 0.85 PRKAG1 (0.85) 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.