SCHEMBL4186440

SCHEMBL4186440

CC(C)(C)c1ccc2nc(-c3ccc(-c4ncccn4)cc3)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.66
SCD O00767 1/20 0.64
TRPV1 Q8NER1 4/20 0.61
HDAC6 Q9UBN7 2/20 0.59
NPBWR1 P48145 5/20 0.55
DGAT1 O75907 3/20 0.54
KCNH2 Q12809 3/20 0.54
FGFR1 P11362 2/20 0.52
FLT3 P36888 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
PLK4 O00444 1/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
CHUK O15111 1/20 0.52
PDPK1 O15530 1/20 0.52
JAK2 O60674 1/20 0.52
ROCK2 O75116 1/20 0.52
MAP4K4 O95819 1/20 0.52
PAK4 O96013 1/20 0.52
CHEK2 O96017 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
SCHEMBL4181882 0.86 METAP2 (0.81) METAP2SCDTRPV1HDAC6NPBWR1
SCHEMBL4192687 0.85 DGAT1 (0.74) METAP2SCDTRPV1HDAC6NPBWR1
SCHEMBL10256934 0.84 NPBWR1 (0.73) METAP2SCDTRPV1HDAC6NPBWR1
SCHEMBL13672566 0.83 NPC1 (0.66) METAP2SCDTRPV1HDAC6NPBWR1
SCHEMBL904637 0.83 TRPV1 (0.63) METAP2SCDTRPV1HDAC6NPBWR1
SCHEMBL4188374 0.82 TRPV1 (0.62) METAP2SCDTRPV1HDAC6NPBWR1
Hydrochloric Acid SCHEMBL4182587 0.82 TRPV1 (0.62) METAP2SCDTRPV1HDAC6NPBWR1
SCHEMBL4188368 0.82 TRPV1 (0.62) METAP2SCDTRPV1HDAC6NPBWR1
SCHEMBL4192522 0.81 TRPV1 (0.88) METAP2SCDTRPV1HDAC6NPBWR1
SCHEMBL13945273 0.80 TRPV1 (0.60) METAP2SCDTRPV1HDAC6NPBWR1

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 14 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
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 2104/4885TRPV1 1/4885

“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.