SCHEMBL2279492

SCHEMBL2279492

COC(=O)/C=C(/C)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MAPT P10636 4/20 0.49
TBXAS1 P24557 2/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
APP P05067 1/20 0.49
HCAR3 P49019 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
NPC1 O15118 1/20 0.48
THRB P10828 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 2/20 0.48
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47

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
SCHEMBL2279497 1.00 ALDH1A1 (0.60) ALDH1A1MAPTTBXAS1HTTHPGD
SCHEMBL12309125 1.00 ALDH1A1 (0.60) ALDH1A1MAPTTBXAS1HTTHPGD
SCHEMBL2422440 0.83 L3MBTL1 (0.50) ALDH1A1MAPTTBXAS1HPGDLMNA
SCHEMBL30930819 0.83 L3MBTL1 (0.50) ALDH1A1MAPTTBXAS1HPGDLMNA
SCHEMBL15765091 0.83 L3MBTL1 (0.50) ALDH1A1MAPTTBXAS1HPGDLMNA
SCHEMBL2422438 0.83 L3MBTL1 (0.50) ALDH1A1MAPTTBXAS1HPGDLMNA
SCHEMBL6947970 0.83 ALDH1A1 (0.58) ALDH1A1MAPTHTTHPGDKDM4E
SCHEMBL29105669 0.83 ALDH1A1 (0.58) ALDH1A1MAPTHTTHPGDKDM4E
SCHEMBL29882651 0.83 ALDH1A1 (0.58) ALDH1A1MAPTHTTHPGDKDM4E
SCHEMBL6947971 0.83 ALDH1A1 (0.58) ALDH1A1MAPTHTTHPGDKDM4E

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 10 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-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 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-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 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 (2 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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 ALDH1A1 1230/4885MAPT 4719/4885TBXAS1 90/4885
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 ALDH1A1 854/4885MAPT 4800/4885TBXAS1 68/4885

“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.