SCHEMBL4148808

SCHEMBL4148808

CCNC(=O)c1cnc(-c2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.52
PTGDR2 Q9Y5Y4 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
SCD O00767 1/20 0.44
HRH4 Q9H3N8 2/20 0.43
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
NPBWR1 P48145 1/20 0.42
NR2E3 Q9Y5X4 2/20 0.41
HDAC2 Q92769 2/20 0.41
CHEK1 O14757 1/20 0.41
RHEB Q15382 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHEK2 O96017 1/20 0.41

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
SCHEMBL4147631 0.92 NPBWR1 (0.50) PTGDR2SIRT2SIRT1SIRT3NPBWR1
SCHEMBL4148796 0.91 HDAC6 (0.45) HDAC6PTGDR2SIRT2SIRT1SIRT3
SCHEMBL4147644 0.87 MMP2 (0.53) HDAC6PTGDR2SIRT2SIRT1SIRT3
SCHEMBL4146419 0.87 HDAC6 (0.53) HDAC6PTGDR2SIRT2SIRT1SIRT3
SCHEMBL4157920 0.86 RHEB (0.55) HDAC6PTGDR2SIRT2SIRT1SIRT3
SCHEMBL13741534 0.86 MAPT (0.50) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL4151516 0.84 NPBWR1 (0.46) NPBWR1
SCHEMBL4193190 0.81 SCD (0.55) HDAC6SCDHRH4TRPV1NPBWR1
SCHEMBL4139643 0.80 SCD (0.52) HDAC6PTGDR2SCDHRH4TRPV1
SCHEMBL4154972 0.80 SCD (0.49) HDAC6PTGDR2SCDHRH4TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940769-B2 Biaryl benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-01-27 US claimed
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
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 HDAC6 848/4885PTGDR2 269/4885SIRT2 4418/4885
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TRPV1, TRPV3, TRPA1 HDAC6 989/4885PTGDR2 200/4885SIRT2 4370/4885

“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.