SCHEMBL163011

SCHEMBL163011

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.55
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
CASP3 P42574 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
DGAT1 O75907 3/20 0.49
SIRT2 Q8IXJ6 2/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
PTPN1 P18031 1/20 0.47
PLAT P00750 3/20 0.47
PLG P00747 2/20 0.47
DEGS1 O15121 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
SCHEMBL162257 0.89 DGAT1 (0.57) PLAUNPC1RAB9ACASP3SENP7
SCHEMBL160403 0.83 DGAT1 (0.56) DGAT1
SCHEMBL158605 0.83 SMN1; SMN2 (0.53) NPC1RAB9AMEN1KMT2A
SCHEMBL160613 0.82 PTPN1 (0.50) DGAT1POLBPTPN1DEGS1
SCHEMBL160317 0.80 TRPV1 (0.48) NPC1RAB9ADGAT1MEN1KMT2A
SCHEMBL160629 0.79 KMT2A (0.43) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL162497 0.78 DGAT1 (0.54) DGAT1
SCHEMBL162667 0.76 DGAT1 (0.56) NPC1RAB9ACASP3SENP7DGAT1
SCHEMBL159279 0.76 TRPV1 (0.48) NPC1RAB9ADGAT1MEN1KMT2A
SCHEMBL158665 0.74 DGAT1 (0.57) NPC1RAB9ADGAT1MEN1KMT2A

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 3 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 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 PLAU 1966/4885NPC1 86/4885RAB9A 1781/4885

“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.