SCHEMBL4174460

SCHEMBL4174460

FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc(-c4ccccn4)cc3)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 4/20 0.62
AURKA O14965 1/20 0.51
PARP1 P09874 1/20 0.48
DHODH Q02127 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
TRPV1 Q8NER1 2/20 0.47
DGAT1 O75907 1/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1H O95180 5/20 0.46
CACNA1G O43497 2/20 0.46
SYK P43405 2/20 0.45
CACNA1C Q13936 2/20 0.45
CACNA1B Q00975 1/20 0.45
NPBWR1 P48145 1/20 0.45
CHEK2 O96017 1/20 0.45
SCD O00767 1/20 0.45

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
SCHEMBL15981090 0.90 CBFB (0.75) CBFBCACNA1HCACNA1GSYKCACNA1C
SCHEMBL4186602 0.87 CBFB (0.82) CBFBAURKAPARP1DHODHPARP2
SCHEMBL4186727 0.87 CBFB (0.55) CBFBDHODHCACNA1HCACNA1GSYK
SCHEMBL4187103 0.84 CBFB (0.60) CBFBCACNA1HCACNA1GSYKCACNA1C
SCHEMBL4183807 0.83 TRPV1 (0.65) CBFBTRPV1DGAT1KCNH2CACNA1H
SCHEMBL4189664 0.81 CBFB (0.81) CBFBTRPV1DGAT1KCNH2NPBWR1
SCHEMBL4189155 0.81 CBFB (0.53) CBFBTRPV1DGAT1KCNH2CACNA1H
SCHEMBL15780001 0.78 CBFB (0.75) CBFB
SCHEMBL4184625 0.77 CACNA1H (0.44) CBFBPARP2DGAT1KCNH2CACNA1H
SCHEMBL16121403 0.77 CACNA1H (0.48) CBFBAURKADGAT1KCNH2CACNA1H

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
US-9199965-B2 Benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG CO., LTD. (KR) 2015-12-01 US claimed
EP-1861387-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF DAE WOONG PHARMA (KR) 2014-04-16 EP claimed
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-01-15 US claimed
US-9199965-B2 Benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG CO., LTD. (KR) 2015-12-01 US disclosed
US-9199965-B2 Benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG CO., LTD. (KR) 2015-12-01 US disclosed
US-9199965-B2 Benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG CO., LTD. (KR) 2015-12-01 US disclosed
EP-1861387-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF DAE WOONG PHARMA (KR) 2014-04-16 EP disclosed
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-01-15 US disclosed
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-01-15 US disclosed
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-01-15 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-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same TRPV1, TRPA1, BDKRB2 CBFB 1891/4885AURKA 3834/4885PARP1 2459/4885

“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.