SCHEMBL4147453

SCHEMBL4147453

CCNC(=O)c1cnc(-c2ccc(-c3nc4c(Br)cc(Br)cc4[nH]3)nc2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.38
CNR1 P21554 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RIPK1 Q13546 1/20 0.34
CDK8 P49336 1/20 0.34
KMT2A Q03164 1/20 0.34
RHEB Q15382 1/20 0.34
ALOX15 P16050 1/20 0.33
HPGDS O60760 1/20 0.33
TGFBR1 P36897 1/20 0.33
DGAT1 O75907 2/20 0.33
KCNH2 Q12809 2/20 0.33
CYP2C8 P10632 1/20 0.33
HPSE Q9Y251 2/20 0.33
KDR P35968 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
SOAT1 P35610 1/20 0.32

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
SCHEMBL4146673 0.89 CBFB (0.40) DHODHCNR1HDAC6RIPK1DGAT1
SCHEMBL4152066 0.87 MMP2 (0.46) HDAC6DGAT1KCNH2CYP2C8KDR
SCHEMBL4159614 0.87 HDAC6 (0.45) HDAC6RIPK1DGAT1KCNH2SOAT1
SCHEMBL4146784 0.87 MMP2 (0.42) DHODHRHEBHPGDSDGAT1KCNH2
SCHEMBL4149283 0.86 DHODH (0.44) DHODHDGAT1KCNH2CYP2C8SOAT1
SCHEMBL15252554 0.86 DHODH (0.36) DHODHKMT2ADGAT1KCNH2CYP2C8
SCHEMBL13741784 0.82 ATR (0.45) HPSE
SCHEMBL14922829 0.81 RIPK1 (0.43) HDAC6RIPK1HPSE
SCHEMBL4160681 0.80 EGLN1 (0.41) CNR1HDAC6RIPK1RHEBHPSE
SCHEMBL15252732 0.80 DHODH (0.38) DHODHRHEBDGAT1KCNH2CYP2C8

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 9 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-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 DHODH 704/4885CNR1 220/4885HDAC6 848/4885
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TRPV1, TRPV3, TRPA1 DHODH 1203/4885CNR1 79/4885HDAC6 989/4885

“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.