SCHEMBL9923447

SCHEMBL9923447

COc1ncc(Cn2cc(F)c(OCCc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)nc2=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.40
LMNA P02545 1/20 0.40
LIPE Q05469 5/20 0.39
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
SCN9A Q15858 6/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36
EGLN1 Q9GZT9 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
SCHEMBL9923523 0.92 P2RX3 (0.42) P2RX3LMNALIPEPLAAT3PLAAT5
SCHEMBL9923505 0.87 SCN7A (0.40) P2RX3LMNALIPEPLAAT3PLAAT5
SCHEMBL9905826 0.86 P2RX3 (0.39) P2RX3
SCHEMBL9923522 0.83 P2RX3 (0.39) P2RX3
SCHEMBL9904787 0.82 PLA2G7 (0.46)
SCHEMBL9904955 0.79 P2RX7 (0.39) EGLN1
SCHEMBL15277323 0.79 P2RX3 (0.39) P2RX3LMNALIPEPLAAT3PLAAT5
SCHEMBL9923442 0.78 PLA2G7 (0.42)
SCHEMBL9905812 0.78 RXRA (0.36) KCNH2
SCHEMBL15262949 0.78 P2RX3 (0.40) P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 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-20130252986-A1 COMPOUNDS LIPG, ENPP2, PLA2G1B P2RX3 1378/4885LMNA 545/4885LIPE 75/4885

“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.