SCHEMBL161478

SCHEMBL161478

Cc1ccc(NC(=O)Nc2ccc(-c3cnc(CCCC(=O)O)s3)cc2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.56
RAB9A P51151 3/20 0.43
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MCL1 Q07820 1/20 0.42
KDR P35968 2/20 0.42
ROCK2 O75116 2/20 0.42
MAP4K4 O95819 2/20 0.42
LCK P06239 2/20 0.42
RET P07949 2/20 0.42
RPS6KB1 P23443 2/20 0.42
GSK3B P49841 2/20 0.42
BLK P51451 2/20 0.42
PRKCD Q05655 2/20 0.42
PRKAA1 Q13131 2/20 0.42
STK3 Q13188 2/20 0.42
ROCK1 Q13464 2/20 0.42
TAOK1 Q7L7X3 2/20 0.42

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
SCHEMBL161893 0.90 DGAT1 (0.52) DGAT1RAB9ACCNCCDK8KDM4E
SCHEMBL163271 0.82 DGAT1 (0.58) DGAT1RAB9ACDK8SMN1; SMN2KDR
SCHEMBL158944 0.80 DGAT1 (0.58) DGAT1RAB9AKDM4ESMN1; SMN2KDR
SCHEMBL158827 0.77 PTPN1 (0.51) SMN1; SMN2KDRFFAR1POLB
SCHEMBL162665 0.76 NR1H4 (0.62) DGAT1
SCHEMBL163790 0.76 DGAT1 (0.60) DGAT1RAB9ACDK8SMN1; SMN2KDR
SCHEMBL161829 0.74 DGAT1 (0.63) DGAT1CDK8SMN1; SMN2KDRFLT1
SCHEMBL164815 0.74 NR1H4 (0.53) DGAT1RAB9AKDM4ENPC1
SCHEMBL158826 0.74 DGAT1 (0.56) DGAT1RAB9ACDK8SMN1; SMN2KDR
SCHEMBL162494 0.74 EPHX1 (0.50) DGAT1RAB9ASMN1; SMN2KDRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 DGAT1 1/4885RAB9A 1781/4885CCNC 2923/4885

“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.