SCHEMBL2276183

SCHEMBL2276183

COC(=O)c1cnc(NC(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
MAPT P10636 2/20 0.61
POLB P06746 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 1/20 0.50
OPRK1 P41145 1/20 0.49
HCAR3 P49019 2/20 0.46
VCAM1 P19320 1/20 0.45
JAK2 O60674 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.41

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
SCHEMBL31716793 0.86 MAPK1 (0.58) MAPK1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL6775498 0.85 MAPT (0.65) MAPK1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL4662535 0.83 MAPT (0.64) MAPK1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL14212449 0.82 MAPT (0.62) MAPK1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL11377331 0.80 MAPK1 (0.59) MAPK1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL21630053 0.79 MAPT (0.59) MAPK1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL18440448 0.79 MAPK1 (0.59) MAPK1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL6689472 0.79 OPRK1 (0.64) MAPK1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL31440674 0.79 MAPT (0.57) MAPK1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL2816931 0.79 ATM (0.46) MAPK1MAPTPOLBL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
EP-2358202-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 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-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 MAPK1 2355/4885MAPT 4800/4885POLB 1574/4885

“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.