SCHEMBL4178979

SCHEMBL4178979

FC(F)(F)c1ccc2nc(-c3ccc(-c4ncccc4C(F)(F)F)c4ccccc34)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.64
CBFB Q13951 2/20 0.59
NPBWR1 P48145 4/20 0.54
DGAT1 O75907 3/20 0.52
KCNH2 Q12809 3/20 0.52
DYRK1A Q13627 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
METAP2 P50579 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL4174467 0.88 CBFB (0.58) TRPV1CBFBNPBWR1DGAT1KCNH2
SCHEMBL13968695 0.86 TRPV1 (0.53) TRPV1CBFBNPBWR1HDAC3HDAC7
SCHEMBL4189141 0.84 TRPV1 (0.73) TRPV1CBFBNPBWR1DGAT1KCNH2
SCHEMBL4189696 0.83 TRPV1 (0.72) TRPV1CBFBNPBWR1DGAT1KCNH2
SCHEMBL4172381 0.83 TRPV1 (0.69) TRPV1CBFBNPBWR1DGAT1KCNH2
SCHEMBL904621 0.78 TRPV1 (0.71) TRPV1CBFBNPBWR1DGAT1KCNH2
Hydrochloric Acid SCHEMBL4182314 0.78 TRPV1 (0.70) TRPV1CBFBNPBWR1DGAT1KCNH2
SCHEMBL4186591 0.77 TRPV1 (0.74) TRPV1CBFBNPBWR1DGAT1KCNH2
SCHEMBL904643 0.77 METAP2 (0.58) TRPV1CBFBDYRK1AMETAP2HDAC6
SCHEMBL4188942 0.77 TRPV1 (0.70) TRPV1CBFBNPBWR1DGAT1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1861387-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2007-12-05 EP claimed
WO-2006080821-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2006-08-03 WO 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
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
EP-1861387-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2007-12-05 EP disclosed
WO-2006080821-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2006-08-03 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-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same TRPV1, TRPA1, BDKRB2 TRPV1 1/4885CBFB 1891/4885NPBWR1 56/4885

“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.