SCHEMBL4159614

SCHEMBL4159614

CCNC(=O)c1cnc(-c2ccc(-c3nc4ncc(Br)cc4[nH]3)nc2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPK10 P53779 1/20 0.43
AURKA O14965 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
CHEK2 O96017 1/20 0.36
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 1/20 0.35
KIT P10721 1/20 0.35
IKBKE Q14164 3/20 0.34
AURKB Q96GD4 3/20 0.34
TBK1 Q9UHD2 3/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL4146845 0.91 HDAC6 (0.52) HDAC6ALDH1A1MAPK10AURKAPTGDR2
SCHEMBL4152066 0.88 MMP2 (0.46) HDAC6DGAT1SOAT1KCNH2
SCHEMBL4147453 0.87 DHODH (0.38) HDAC6DGAT1SOAT1KCNH2RIPK1
SCHEMBL14922829 0.87 RIPK1 (0.43) HDAC6AURKAPTGDR2RIPK1
SCHEMBL4156009 0.86 MMP2 (0.43) HDAC6ALDH1A1MAPK10AURKAPTGDR2
SCHEMBL4151626 0.86 AURKA (0.43) HDAC6ALDH1A1MAPK10AURKAPTGDR2
SCHEMBL15252495 0.85 AURKA (0.41) HDAC6ALDH1A1MAPK10AURKAPTGDR2
SCHEMBL13741784 0.83 ATR (0.45) ALDH1A1HPGDSMN1; SMN2
SCHEMBL4146673 0.80 CBFB (0.40) HDAC6DGAT1RIPK1
SCHEMBL15252721 0.80 AURKA (0.44) HDAC6AURKAPTGDR2CHEK2DGAT1

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 8 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
US-8940769-B2 Biaryl benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-01-27 US disclosed
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP 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

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 HDAC6 848/4885ALDH1A1 2414/4885MAPK10 4617/4885
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TRPV1, TRPV3, TRPA1 HDAC6 989/4885ALDH1A1 3932/4885MAPK10 4385/4885

“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.