SCHEMBL4716045

SCHEMBL4716045

O=C(O)Cn1c(CCc2ccccc2)nc(=O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.54
▸ APEX1 P27695 2/20 0.53
▸ PTGDR2 Q9Y5Y4 2/20 0.48
▸ AKR1B10 O60218 1/20 0.47
▸ AKR1B1 P15121 1/20 0.47

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
SCHEMBL4714008 0.91 GLA (0.51) GLAKDM4EAPEX1PTGDR2
SCHEMBL4715837 0.88 GLA (0.48) GLAKDM4EAPEX1PTGDR2
SCHEMBL4715504 0.88 GLA (0.50) GLAKDM4EAPEX1PTGDR2AKR1B10
SCHEMBL4717505 0.87 GLA (0.49) GLAKDM4EAPEX1AKR1B10AKR1B1
SCHEMBL4714317 0.86 GLA (0.48) GLAKDM4EAPEX1PTGDR2AKR1B10
SCHEMBL4718170 0.85 GLA (0.45) GLAKDM4EAPEX1AKR1B10AKR1B1
SCHEMBL4714193 0.85 GLA (0.52) GLAKDM4EAPEX1PTGDR2AKR1B10
SCHEMBL4715037 0.84 GLA (0.51) GLAKDM4EAPEX1PTGDR2AKR1B10
SCHEMBL27017061 0.83 GLA (0.54) GLAKDM4EAPEX1PTGDR2AKR1B10
SCHEMBL4789333 0.83 GLA (0.50) GLAKDM4EAPEX1PTGDR2AKR1B10

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 9 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
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

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 GLA 639/4885KDM4E 3484/4885APEX1 1088/4885

“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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