SCHEMBL2542849

SCHEMBL2542849

C[Si](C)(C)CCOCn1c(S(C)(=O)=O)nc2cc(I)c(F)cc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
MLKL Q8NB16 1/20 0.32
DGAT1 O75907 2/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL30408912 0.86 CYP1A2 (0.36) CYP1A2CYP2C19NPC1MLKLLMNA
SCHEMBL2262426 0.86 CYP1A2 (0.36) CYP1A2CYP2C19NPC1MLKLLMNA
SCHEMBL15572418 0.85 CYP1A2 (0.35) CYP1A2CYP2C19NPC1MLKL
SCHEMBL14120202 0.82 NPC1 (0.32) NPC1MLKL
SCHEMBL15572346 0.80 MLKL (0.35) CYP1A2CYP2C19NPC1MLKL
SCHEMBL31202659 0.78 CYP1A2 (0.35) CYP1A2CYP2C19NPC1MLKL
SCHEMBL19884913 0.78 APP (0.36) DGAT1ALOX5APFEN1
SCHEMBL15571177 0.77 CYP1A2 (0.36) CYP1A2CYP2C19NPC1MLKLDGAT1
SCHEMBL2261393 0.76 CYP1A2 (0.45) CYP1A2CYP2C19NPC1ALOX5APLMNA
SCHEMBL16981338 0.76 NPC1 (0.31) NPC1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174246-B2 Direct AMPK activators RIGEL PHARMACEUTICALS, INC. (US) 2021-11-16 US disclosed
WO-2018035128-A1 BENZIMIDAZOLE DIRECT AMPK ACTIVATORS RIGEL PHARMACEUTICALS, INC. (US) 2018-02-22 WO disclosed
US-20180051006-A1 DIRECT AMPK ACTIVATORS MIDCAP FINANCIAL TRUST 2018-02-22 US disclosed
US-20180051006-A1 DIRECT AMPK ACTIVATORS MIDCAP FINANCIAL TRUST 2018-02-22 US disclosed
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-8410284-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-04-02 US disclosed
US-8410284-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-04-02 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-8394969-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
US-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
WO-2010047982-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-29 WO 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 (4 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 CYP1A2 1638/4885CYP2C19 2218/4885NPC1 1099/4885
US-11174246-B2 Direct AMPK activators PRKAA1, PRKAG1, PRKAB1 CYP1A2 1665/4885CYP2C19 2077/4885NPC1 1780/4885
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 CYP1A2 1638/4885CYP2C19 2218/4885NPC1 1099/4885
US-20180051006-A1 DIRECT AMPK ACTIVATORS PRKAA1, PRKAG1, PRKAB1 CYP1A2 1665/4885CYP2C19 2077/4885NPC1 1780/4885

“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.