SCHEMBL2279270

SCHEMBL2279270

COC(=O)c1ccc2c(c1)[nH]c(=O)n2-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 6/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
LMNA P02545 1/20 0.43
PARP1 P09874 2/20 0.42
KIF11 P52732 1/20 0.41
RAB9A P51151 1/20 0.41
HPD P32754 1/20 0.41
HTR3A P46098 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
SCHEMBL17826958 0.88 AURKA (0.48) KMT2AMEN1L3MBTL1POLBKDM4E
SCHEMBL697589 0.86 PARP1 (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL4947302 0.80 HSP90AA1 (0.56) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL25351200 0.78 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL29703038 0.78 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL4254796 0.77 ALDH1A1 (0.79) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL27252193 0.76 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL25430362 0.76 PARP1 (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL11798445 0.76 ALDH1A1 (0.67) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL4922308 0.76 L3MBTL1 (0.48) KMT2ASMN1; SMN2MEN1L3MBTL1POLB

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-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

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 ALDH1A1 854/4885KMT2A 841/4885SMN1; SMN2 3978/4885

“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.