SCHEMBL165013

SCHEMBL165013

COc1ccccc1NC(=O)Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.59
NPC1 O15118 5/20 0.49
LMNA P02545 5/20 0.49
RAB9A P51151 5/20 0.49
NOD2 Q9HC29 1/20 0.49
KMT2A Q03164 2/20 0.48
TP53 P04637 5/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
PAX8 Q06710 1/20 0.47
CYP2C9 P11712 1/20 0.46
HDAC4 P56524 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
AHR P35869 1/20 0.44
ROCK2 O75116 1/20 0.44
LIMK1 P53667 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL161688 0.93 DGAT1 (0.51) DGAT1NPC1LMNARAB9ANOD2
SCHEMBL162433 0.87 NPC1 (0.57) DGAT1NPC1LMNARAB9AKMT2A
SCHEMBL161754 0.87 DGAT1 (0.57) DGAT1NPC1LMNARAB9AKMT2A
SCHEMBL165014 0.87 LMNA (0.48) DGAT1NPC1LMNARAB9ANOD2
SCHEMBL163647 0.84 KMT2A (0.54) NPC1LMNARAB9ANOD2KMT2A
SCHEMBL162572 0.83 LMNA (0.49) DGAT1NPC1LMNARAB9ANOD2
SCHEMBL3307712 0.80 RAB9A (0.60) DGAT1NPC1LMNARAB9AKMT2A
SCHEMBL3307714 0.80 RAB9A (0.60) DGAT1NPC1LMNARAB9AKMT2A
SCHEMBL161648 0.79 KMT2A (0.49) DGAT1NPC1LMNARAB9AKMT2A
SCHEMBL173260 0.78 TP53 (0.52) DGAT1NPC1LMNARAB9AKMT2A

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 1/4885NPC1 86/4885LMNA 2076/4885

“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.