SCHEMBL4146907

SCHEMBL4146907

C=Cc1cnc(-c2ccc(-c3nc4ccc(Br)cc4[nH]3)nc2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.43
MMP2 P08253 4/20 0.43
MMP9 P14780 4/20 0.43
MMP8 P22894 4/20 0.43
NPC1 O15118 1/20 0.39
TRPV1 Q8NER1 1/20 0.37
CBFB Q13951 2/20 0.37
METAP2 P50579 2/20 0.37
METAP1 P53582 2/20 0.37
ESR1 P03372 1/20 0.37
DGAT1 O75907 5/20 0.36
KCNH2 Q12809 4/20 0.36
SOAT1 P35610 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
AMY1A P0DUB6 1/20 0.35

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
SCHEMBL4147182 0.90 NPC1 (0.51) NPC1CBFBMETAP2METAP1DGAT1
SCHEMBL4147439 0.89 MMP13 (0.52) MMP13MMP2MMP9MMP8NPC1
SCHEMBL13741441 0.86 NPC1 (0.48) NPC1CBFBMETAP2METAP1ADORA3
SCHEMBL4147942 0.85 NPBWR1 (0.52) CBFBDGAT1KCNH2SOAT1
SCHEMBL4142300 0.85 METAP2 (0.49) TRPV1METAP2DGAT1KCNH2SOAT1
SCHEMBL4147032 0.84 CBFB (0.47) MMP13MMP2MMP9MMP8NPC1
SCHEMBL4189125 0.81 CBFB (0.47) MMP13MMP2MMP9MMP8NPC1
SCHEMBL4153761 0.81 MMP2 (0.57) MMP13MMP2MMP9MMP8DGAT1
SCHEMBL4157988 0.79 MMP13 (0.52) MMP13MMP2MMP9MMP8NPC1
SCHEMBL15252345 0.79 MMP2 (0.49) MMP13MMP2MMP9MMP8TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054405-B1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAE WOONG PHARMA (KR) 2013-09-18 EP claimed
US-20090209540-A1 Novel Biaryl Benzolmidazole Derivatives and Pharmaceutical Composition Comprising The Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-08-20 US claimed
EP-2054405-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-05-06 EP claimed
WO-2008007900-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-01-17 WO claimed
US-8940769-B2 Biaryl benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-01-27 US disclosed
EP-2054405-B1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAE WOONG PHARMA (KR) 2013-09-18 EP disclosed
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-08-22 US disclosed
US-8436022-B2 Biaryl benzolmidazole derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-05-07 US disclosed
US-20090209540-A1 Novel Biaryl Benzolmidazole Derivatives and Pharmaceutical Composition Comprising The Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-08-20 US disclosed
EP-2054405-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-05-06 EP disclosed
WO-2008007900-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-01-17 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 (2 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-20090209540-A1 Novel Biaryl Benzolmidazole Derivatives and Pharmaceutical Composition Comprising The Same TRPV1, TRPV3, TRPV5 MMP13 1590/4885MMP2 1846/4885MMP9 3310/4885
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TRPV1, TRPV3, TRPA1 MMP13 1987/4885MMP2 2548/4885MMP9 4054/4885

“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.