SCHEMBL2653971

SCHEMBL2653971

C=CCOc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA9 Q16790 4/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
RAPGEF3 O95398 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
KAT6A Q92794 1/20 0.39
AGER Q15109 1/20 0.39

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
SCHEMBL1665801 0.86 MAPT (0.46) MAPTALDH1A1LMNACA12CA1
SCHEMBL3698368 0.85 ATM (0.46) ATMTDP1MAPTALDH1A1LMNA
SCHEMBL27920396 0.85 ATM (0.49) ATMTDP1MAPTALDH1A1LMNA
SCHEMBL27925022 0.83 ATM (0.53) ATMTDP1MAPTALDH1A1LMNA
SCHEMBL169638 0.82 MAPT (0.66) TDP1MAPTALDH1A1LMNACA12
SCHEMBL34473705 0.81 ATM (0.55) ATMTDP1MAPTALDH1A1LMNA
SCHEMBL3275992 0.81 MAPT (0.42) MAPTALDH1A1LMNACA12CA1
SCHEMBL607025 0.80 MAPT (0.67) ATMTDP1MAPTALDH1A1LMNA
SCHEMBL16029979 0.79 MAPT (0.41) MAPTALDH1A1LMNACA12CA1
SCHEMBL21877851 0.79 MAPT (0.50) TDP1MAPTALDH1A1LMNACA12

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
EP-1626717-A4 BENZIMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-09-09 EP disclosed
US-7563815-B2 Benzamidazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-07-21 US disclosed
US-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents MERCK SHARP & DOHME LLC 2007-04-26 US disclosed
CN-1784226-A Benzimidazole compounds, compositions containing benzimidazole compounds, and methods of use MERCK & CO INC (US) 2006-06-07 CN disclosed
EP-1626717-A2 BENZIMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2006-02-22 EP disclosed
WO-2004100875-A2 BENZIMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-11-25 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-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents GPR119, GLP1R, INSR ATM 2207/4885TDP1 4039/4885MAPT 4375/4885

“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.