SCHEMBL16535781

SCHEMBL16535781

Nc1c(C(=O)NC2CCC(NC(=O)c3nc4ccccc4s3)CC2)[nH]c(=O)[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.61
MAOB P27338 3/20 0.60
CNR1 P21554 3/20 0.46
CNR2 P34972 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
CHRNA7 P36544 2/20 0.45
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL16535779 1.00 LIPG (0.61) LIPGMAOBCNR1CNR2NPC1
SCHEMBL16535755 0.80 LIPG (0.52) LIPGMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL16535751 0.80 LIPG (0.52) LIPGMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL19701364 0.79 MAOB (0.76) MAOBCNR1CNR2NPC1RAB9A
SCHEMBL21490032 0.79 MAOB (0.76) MAOBCNR1CNR2NPC1RAB9A
SCHEMBL16535386 0.78 LIPG (0.78) LIPGNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16535388 0.78 LIPG (0.78) LIPGNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6084702 0.77 MAOB (0.76) MAOBCNR1CNR2NPC1RAB9A
SCHEMBL6084707 0.77 MAOB (0.76) MAOBCNR1CNR2NPC1RAB9A
SCHEMBL28932676 0.76 MAOB (1.00) MAOBCNR1CNR2NPC1RAB9A

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-2844643-B1 PYRIMIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-30 EP disclosed
US-9199946-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-01 US disclosed
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 US 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-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, PNLIP LIPG 1/4885MAOB 387/4885CNR1 1446/4885

“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.