SCHEMBL162494

SCHEMBL162494

O=C(O)CCc1ncc(-c2ccc(NC(=O)NC3CCCCC3)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.50
RAB9A P51151 10/20 0.50
EPHX2 P34913 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
DGAT1 O75907 1/20 0.49
NPC1 O15118 8/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48
KDR P35968 1/20 0.46
EGLN2 Q96KS0 1/20 0.46
EGLN1 Q9GZT9 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
SCHEMBL163872 0.89 EPHX1 (0.51) EPHX1RAB9AEPHX2SMN1; SMN2NPC1
SCHEMBL162878 0.85 EPHX1 (0.49) EPHX1RAB9AEPHX2SMN1; SMN2DGAT1
SCHEMBL163195 0.82 EPHX1 (0.51) EPHX1RAB9AEPHX2SMN1; SMN2DGAT1
SCHEMBL163566 0.81 EPHX2 (0.49) EPHX1RAB9AEPHX2SMN1; SMN2NPC1
SCHEMBL15022218 0.81 EPHX1 (0.44) EPHX1RAB9AEPHX2SMN1; SMN2DGAT1
SCHEMBL158865 0.79 EPHX2 (0.51) EPHX1RAB9AEPHX2SMN1; SMN2NPC1
SCHEMBL15022046 0.78 EPHX1 (0.46) EPHX1RAB9AEPHX2SMN1; SMN2NPC1
SCHEMBL161526 0.77 DGAT1 (0.60) EPHX1RAB9AEPHX2SMN1; SMN2DGAT1
SCHEMBL163121 0.76 DGAT1 (0.59) RAB9AEPHX2SMN1; SMN2DGAT1NPC1
SCHEMBL163790 0.74 DGAT1 (0.60) RAB9AEPHX2SMN1; SMN2DGAT1NPC1

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 EPHX1 786/4885RAB9A 1781/4885EPHX2 712/4885

“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.