SCHEMBL2654263

SCHEMBL2654263

C=CCOc1ccc(N)c(NC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA9 Q16790 5/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
MAOA P21397 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL174535 0.79 NR4A1 (0.50) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL12005938 0.78 ALDH1A1 (0.49) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL13211386 0.75 NR4A1 (0.54) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
Acetic Acid SCHEMBL28677107 0.75 SLC5A1 (0.42) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL2654219 0.75 ALDH1A1 (0.45) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL29606827 0.75 ALDH1A1 (0.49) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL601737 0.75 ALDH1A1 (0.49) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL1131363 0.73 ALDH1A1 (0.53) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL19586631 0.73 MAOB (0.53) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL29280402 0.73 MEN1 (0.50) SMN1; SMN2MAPTLMNAMEN1KMT2A

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 5 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
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 SMN1; SMN2 4214/4885MAPT 4375/4885LMNA 2764/4885

“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.