SCHEMBL4181882

SCHEMBL4181882

CC(C)(C)c1ccc2nc(-c3ccc(-c4ccccn4)cc3)[nH]c2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.81
SCD O00767 2/20 0.64
CBFB Q13951 5/20 0.62
CHEK2 O96017 1/20 0.61
HDAC6 Q9UBN7 1/20 0.59
TRPV1 Q8NER1 2/20 0.57
METAP1 P53582 3/20 0.55
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
PKM P14618 3/20 0.54
DGAT1 O75907 1/20 0.54
KCNH2 Q12809 1/20 0.54
AURKA O14965 1/20 0.53
NPBWR1 P48145 1/20 0.53
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL4189664 0.88 CBFB (0.81) METAP2SCDCBFBCHEK2TRPV1
SCHEMBL4186440 0.86 METAP2 (0.66) METAP2SCDCHEK2HDAC6TRPV1
SCHEMBL4188482 0.85 METAP2 (0.69) METAP2SCDCBFBCHEK2HDAC6
SCHEMBL4182080 0.85 METAP2 (0.69) METAP2SCDCBFBCHEK2HDAC6
SCHEMBL4192687 0.84 DGAT1 (0.74) METAP2SCDCHEK2HDAC6TRPV1
SCHEMBL10256934 0.84 NPBWR1 (0.73) METAP2SCDCHEK2HDAC6TRPV1
SCHEMBL4174549 0.83 METAP2 (0.77) METAP2SCDCBFBCHEK2METAP1
SCHEMBL4181904 0.81 METAP2 (0.80) METAP2SCDCBFBCHEK2TRPV1
SCHEMBL13672566 0.80 NPC1 (0.66) METAP2SCDHDAC6TRPV1NPC1
SCHEMBL904637 0.80 TRPV1 (0.63) METAP2SCDCHEK2HDAC6TRPV1

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
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
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
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 METAP2 4226/4885SCD 2104/4885CBFB 1891/4885

“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.