SCHEMBL2277928

SCHEMBL2277928

COC(=O)c1ccc(Nc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
AKR1C3 P42330 1/20 0.61
AKR1C2 P52895 1/20 0.61
LMNA P02545 3/20 0.55
KMT2A Q03164 3/20 0.55
HPGD P15428 3/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
THRB P10828 1/20 0.52
HCAR3 P49019 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL3492902 0.91 MAPT (0.52) MAPTAKR1C3AKR1C2KMT2AHPGD
SCHEMBL23675133 0.88 MAPT (0.81) MAPTAKR1C3AKR1C2LMNAKMT2A
SCHEMBL145023 0.85 MAPT (0.62) MAPTAKR1C3AKR1C2LMNAKMT2A
SCHEMBL30441386 0.84 MAPT (0.64) MAPTAKR1C3AKR1C2LMNAKMT2A
SCHEMBL12374635 0.84 LMNA (0.74) MAPTAKR1C3AKR1C2LMNAKMT2A
SCHEMBL7153117 0.84 MAPT (0.64) MAPTAKR1C3AKR1C2LMNAKMT2A
SCHEMBL12089421 0.83 HCAR3 (0.75) MAPTAKR1C3AKR1C2LMNAKMT2A
SCHEMBL11123520 0.82 MAPT (0.53) MAPTAKR1C3AKR1C2LMNAKMT2A
SCHEMBL4922797 0.81 L3MBTL1 (0.63) MAPTAKR1C3AKR1C2LMNAKMT2A
SCHEMBL2342925 0.81 GAA (0.51) MAPTKMT2AHPGDMEN1GAA

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 7 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
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
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

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 MAPT 4800/4885AKR1C3 584/4885AKR1C2 750/4885

“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.