SCHEMBL2804576

SCHEMBL2804576

O=C(O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.40
▸ MAPT P10636 6/20 0.39
▸ PTGDR2 Q9Y5Y4 5/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL6220473 0.86 KMT2A (0.50) CYP2C9MAPTMEN1KMT2ATP53
SCHEMBL3456512 0.84 PLA2G7 (0.39) CYP2C9MAPTPTGDR2MEN1KMT2A
SCHEMBL3456655 0.84 ADORA1 (0.43) PTGDR2KMT2A
SCHEMBL3456383 0.83 GLA (0.46) PTGDR2KMT2AKDM4E
SCHEMBL3462977 0.82 CXCR2 (0.36) CYP2C9PTGDR2
SCHEMBL2807725 0.82 CYP2C9 (0.55) CYP2C9MAPTPTGDR2MEN1KMT2A
SCHEMBL3456353 0.82 PTGDR2 (0.39) PTGDR2
SCHEMBL3456716 0.80 PTGDR2 (0.39) PTGDR2
SCHEMBL3456048 0.79 PTGDR2 (0.37) CYP2C9PTGDR2
SCHEMBL3456552 0.78 ALDH1A1 (0.39) PTGDR2TP53

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2977452-A2 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2016-01-27 — — EP disclosed
EP-2977452-A2 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2016-01-27 — — EP disclosed
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-10-22 — — US disclosed
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-10-22 — — US disclosed
EP-2155225-B1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-07-08 — — EP disclosed
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY 2015-07-02 — — US disclosed
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY 2015-07-02 — — US disclosed
US-9029383-B2 Methods of treatment of skin ulcers THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-05-12 — — US disclosed
US-9029383-B2 Methods of treatment of skin ulcers THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-05-12 — — US disclosed
US-9029383-B2 Methods of treatment of skin ulcers THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-05-12 — — US disclosed
US-7235566-B2 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-26 — — US disclosed
US-7235566-B2 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-26 — — US disclosed
US-7235566-B2 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-26 — — US disclosed
US-20050245552-A1 N-substituted pyridinone and pyrimidinone derivatives for use as lp-pla2 inhibitors in the treatment of artherosclerosis GLAXO GROUP LIMITED (GB) 2005-11-03 — — US disclosed
US-20050153964-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis GLAXO GROUP LIMITED (GB) 2005-07-14 — — US disclosed
US-20050014793-A1 Pyridinone derivatives for treatment of atherosclerosis GLAXO GROUP LIMITED (GB) 2005-01-20 — — US disclosed
EP-1492787-A2 (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2005-01-05 — — EP disclosed
EP-1492533-A1 N-SUBSTITUTED PYRIDINONE AND PYRIMIDINONE DERIVATIVES FOR USE AS LP-PLA2 INHIBITORS IN THE TREATMENT OF ARTHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2005-01-05 — — EP disclosed
WO-2003086400-A1 N-SUBSTITUTED PYRIDINONE AND PYRIMIDINONE DERIVATIVES FOR USE AS LP-PLA2 INHIBITORS IN THE TREATMENT OF ARTHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2003-10-23 — — WO disclosed
WO-2003087088-A2 (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2003-10-23 — — 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 (5 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-20050014793-A1 Pyridinone derivatives for treatment of atherosclerosis PNPO, PLA2G7, PLA2G4B CYP2C9 1138/4885MAPT 4541/4885PTGDR2 167/4885
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS PLA2G12A, PLA2G3, PLA2G4A CYP2C9 4500/4885MAPT 4864/4885PTGDR2 263/4885
US-20050153964-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis LYPLAL1, PLA2G12A, ENPP2 CYP2C9 2467/4885MAPT 4863/4885PTGDR2 151/4885
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, LPAR1, PLA2G1B CYP2C9 4440/4885MAPT 199/4885PTGDR2 483/4885
US-20050245552-A1 N-substituted pyridinone and pyrimidinone derivatives for use as lp-pla2 inhibitors in the treatment of artherosclerosis PLA2G12A, PLA2G4B, PLA2G1B CYP2C9 2494/4885MAPT 4831/4885PTGDR2 196/4885

“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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