SCHEMBL4152066

SCHEMBL4152066

CCNC(=O)c1cnc(-c2ccc(-c3nc4ccc(Br)cc4[nH]3)nc2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.46
MMP9 P14780 5/20 0.46
MMP8 P22894 5/20 0.46
MMP13 P45452 5/20 0.46
SIRT2 Q8IXJ6 2/20 0.43
HDAC6 Q9UBN7 4/20 0.42
DGAT1 O75907 5/20 0.40
KCNH2 Q12809 4/20 0.40
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
CYP2C8 P10632 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
KDR P35968 2/20 0.39
ERBB2 P04626 1/20 0.39
SOAT1 P35610 2/20 0.39
HDAC2 Q92769 2/20 0.39
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL4147644 0.91 MMP2 (0.53) MMP2MMP9MMP8MMP13SIRT2
SCHEMBL13741784 0.88 ATR (0.45)
SCHEMBL4148796 0.88 HDAC6 (0.45) SIRT2HDAC6DGAT1KCNH2CYP2C8
SCHEMBL4159614 0.88 HDAC6 (0.45) HDAC6DGAT1KCNH2SOAT1
SCHEMBL4151516 0.87 NPBWR1 (0.46) DGAT1KCNH2SOAT1
SCHEMBL4147453 0.87 DHODH (0.38) HDAC6DGAT1KCNH2CYP2C8KDR
SCHEMBL4142862 0.86 MMP2 (0.60) MMP2MMP9MMP8MMP13SIRT2
SCHEMBL4153761 0.86 MMP2 (0.57) MMP2MMP9MMP8MMP13SIRT2
SCHEMBL15252341 0.85 MMP2 (0.46) MMP2MMP9MMP8MMP13SIRT2
SCHEMBL4153436 0.84 SIRT2 (0.51) SIRT2SIRT1

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 MMP2 1846/4885MMP9 3310/4885MMP8 673/4885
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TRPV1, TRPV3, TRPA1 MMP2 2548/4885MMP9 4054/4885MMP8 1074/4885

“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.