SCHEMBL4712441

SCHEMBL4712441

O=C(O)Cn1c(CCc2ccccc2)nc(=O)c2c1CCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ FABP4 P15090 3/20 0.41
▸ APEX1 P27695 1/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ FABP3 P05413 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ PLA2G7 Q13093 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4718234 0.90 HSD17B10 (0.43) KMT2AKDM4EMEN1GLACASP1
SCHEMBL4717562 0.90 PLA2G7 (0.49) KMT2AKDM4EMEN1GLACASP1
SCHEMBL4716091 0.90 KMT2A (0.43) KMT2AKDM4EMEN1GLACASP1
SCHEMBL4718359 0.88 NPC1 (0.44) KMT2AKDM4EMEN1GLACASP1
SCHEMBL4714043 0.88 FABP3 (0.45) KMT2AKDM4EMEN1GLACASP1
SCHEMBL4716213 0.87 EGLN1 (0.45) KMT2AKDM4EMEN1GLACASP1
SCHEMBL4716410 0.87 FABP4 (0.44) KMT2AKDM4EMEN1GLACASP1
SCHEMBL4715470 0.85 KDM4E (0.44) KMT2AKDM4EMEN1GLACASP1
SCHEMBL4715145 0.85 KDM4E (0.44) KMT2AKDM4EMEN1GLACASP1
SCHEMBL4719410 0.84 PLA2G7 (0.41) KMT2AKDM4EMEN1GLACASP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
EP-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 — — EP disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 — — US disclosed
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 — — EP disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 — — 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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B KMT2A 2798/4885KDM4E 3484/4885MEN1 3656/4885

“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.

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