SCHEMBL9892512

SCHEMBL9892512

N=C(N)OCCc1ccc(Oc2ncc(C(F)(F)F)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAOB P27338 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PLAAT3 P53816 1/20 0.35
▸ PLAAT5 Q96KN8 1/20 0.35
▸ PLAAT2 Q9NWW9 1/20 0.35
▸ PLAAT4 Q9UL19 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ FAAH O00519 1/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ SCN7A Q01118 1/20 0.34
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33

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
SCHEMBL9892562 0.85 LIPE (0.50) LMNAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9105909 0.84 IDO1 (0.46) MAOBIDO1
SCHEMBL9889515 0.83 NPSR1 (0.37) SMN1; SMN2MAPT
SCHEMBL9889517 0.83 NPSR1 (0.37) SMN1; SMN2MAOBLMNAIDO1SCN9A
SCHEMBL9889518 0.81 MEN1 (0.47) SMN1; SMN2LMNAPLAAT3PLAAT5PLAAT2
SCHEMBL9106578 0.81 FAAH (0.37) MAOBPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9106639 0.80 PLAAT3 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4FAAH
SCHEMBL9103930 0.80 SMN1; SMN2 (0.42) SMN1; SMN2MAOBLMNAPLAAT3PLAAT5
SCHEMBL9105853 0.78 LTA4H (0.46) MAOBKDM4EFAAH
SCHEMBL9107800 0.76 TLR8 (0.41) SMN1; SMN2IDO1

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-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 — — EP disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 — — US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 — — US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 — — US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 — — WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 — — 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 (2 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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 SMN1; SMN2 3782/4885MAOB 991/4885LMNA 512/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B SMN1; SMN2 2782/4885MAOB 861/4885LMNA 471/4885

“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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