SCHEMBL162257

SCHEMBL162257

O=C(O)CCc1ncc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.57
NR1H4 Q96RI1 3/20 0.53
SIRT2 Q8IXJ6 3/20 0.51
PLAU P00749 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
DEGS1 O15121 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 1/20 0.48
CYSLTR1 Q9Y271 2/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL163011 0.89 PLAU (0.55) DGAT1SIRT2PLAUDEGS1MEN1
SCHEMBL158827 0.82 PTPN1 (0.51) NR1H4PTGDR2DEGS1
SCHEMBL161479 0.81 NR1H4 (0.61) DGAT1NR1H4PTGDR2
SCHEMBL162225 0.80 SMN1; SMN2 (0.54) NR1H4MEN1KMT2ARAB9AKDM4E
SCHEMBL158818 0.78 TRPV1 (0.51) DGAT1NR1H4NPC1RAB9AKDM4E
SCHEMBL26885217 0.76 PTPN1 (0.73) DGAT1NR1H4PLAUDEGS1MEN1
SCHEMBL162491 0.76 MEN1 (0.43) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL162665 0.76 NR1H4 (0.62) DGAT1NR1H4PTGDR2
SCHEMBL160613 0.75 PTPN1 (0.50) DGAT1NR1H4DEGS1
SCHEMBL26885220 0.74 DEGS1 (0.79) DGAT1NR1H4PLAUDEGS1MEN1

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 1/4885NR1H4 445/4885SIRT2 472/4885

“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.