SCHEMBL4146845

SCHEMBL4146845

CCNC(=O)c1cnc(-c2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.52
AURKA O14965 2/20 0.48
ALDH1A1 P00352 1/20 0.46
MAPK10 P53779 1/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.46
CHEK2 O96017 1/20 0.43
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KIF11 P52732 1/20 0.40
BRAF P15056 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIT P10721 1/20 0.38
GUSB P08236 1/20 0.38
IKBKE Q14164 2/20 0.38
AURKB Q96GD4 2/20 0.38
TBK1 Q9UHD2 2/20 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
SCHEMBL4159614 0.91 HDAC6 (0.45) HDAC6AURKAALDH1A1MAPK10PTGDR2
SCHEMBL4147644 0.87 MMP2 (0.53) HDAC6PTGDR2
SCHEMBL13751458 0.86 PRMT5 (0.50) HDAC6AURKAPTGDR2
SCHEMBL4140334 0.85 AURKA (0.51) HDAC6AURKAALDH1A1PTGDR2CHEK2
SCHEMBL4148154 0.85 AURKA (0.52) HDAC6AURKAALDH1A1MAPK10PTGDR2
SCHEMBL13741534 0.82 MAPT (0.50) HDAC6ALDH1A1HPGDSMN1; SMN2
SCHEMBL4160681 0.79 EGLN1 (0.41) HDAC6
SCHEMBL4551530 0.79 AURKA (0.52) HDAC6AURKAPTGDR2CHEK2KIF11
SCHEMBL4152066 0.78 MMP2 (0.46) HDAC6
SCHEMBL4147990 0.78 AURKA (0.49) HDAC6AURKAALDH1A1PTGDR2CHEK2

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-2054405-B1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAE WOONG PHARMA (KR) 2013-09-18 EP claimed
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-08-22 US 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
CN-101490037-B Biaryl benzimidazole derivatives and pharmaceutical compositions containing the same DAE WOONG PHARMA 2013-06-12 CN 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
CN-101490037-A Novel biaryl benzimidazole derivatives and pharmaceutical compositions containing the same DAE WOONG PHARMA (KR) 2009-07-22 CN 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 HDAC6 848/4885AURKA 3675/4885ALDH1A1 2414/4885
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TRPV1, TRPV3, TRPA1 HDAC6 989/4885AURKA 3319/4885ALDH1A1 3932/4885

“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.