SCHEMBL4177381

SCHEMBL4177381

Cc1cc(-c2ccc(C(=O)O)cc2)nnc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
PDK1 Q15118 1/20 0.46
CASP1 P29466 7/20 0.45
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
LDHA P00338 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
CTRC Q99895 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMO O15229 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
SCHEMBL1742572 0.83 PDK1 (0.46) RXRAPDK1CASP1KDM4ESMN1; SMN2
SCHEMBL581917 0.79 CASP1 (0.53) PDK1CASP1RAB9AKDM4EPOLB
SCHEMBL30962961 0.79 CASP1 (0.53) PDK1CASP1RAB9AKDM4EPOLB
SCHEMBL2412398 0.79 CASP1 (0.53) PDK1CASP1RAB9AKDM4ENPC1
SCHEMBL1743284 0.77 KDM4E (0.55) RAB9AKDM4EPOLBGAAHTT
SCHEMBL19554487 0.76 NPC1 (0.41) PDK1CASP1RAB9AKDM4ESMN1; SMN2
SCHEMBL29779696 0.76 NPC1 (0.41) PDK1CASP1RAB9AKDM4ESMN1; SMN2
SCHEMBL29129885 0.74 TP53 (0.57) RAB9AKDM4EPOLBGAAHTT
SCHEMBL30850823 0.74 CASP1 (0.56) CASP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL27225888 0.74 CASP1 (0.56) CASP1KDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199965-B2 Benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG CO., LTD. (KR) 2015-12-01 US disclosed
EP-1861387-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF DAE WOONG PHARMA (KR) 2014-04-16 EP disclosed
CN-101128452-B Novel benzimidazole derivatives and pharmaceutical compositions containing the same DAE WOONG PHARMA 2012-11-21 CN disclosed
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-01-15 US disclosed
CN-101128452-A Novel benzimidazole derivatives and pharmaceutical compositions containing the same DAE WOONG PHARMA (KR) 2008-02-20 CN disclosed
EP-1861387-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2007-12-05 EP disclosed
WO-2006080821-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2006-08-03 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 (1 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-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same TRPV1, TRPA1, BDKRB2 RXRA 2920/4885RXRB 2707/4885PDK1 2547/4885

“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.