SCHEMBL4493461

SCHEMBL4493461

Cc1[nH]c(C)c(-c2ccc(CCc3ccc(F)cc3F)nc2)c(=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.36
PTGES O14684 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
SLC2A1 P11166 2/20 0.34
MAPK14 Q16539 2/20 0.34
CNR1 P21554 1/20 0.33
QPCT Q16769 2/20 0.33
PTGS2 P35354 2/20 0.33
QPCTL Q9NXS2 1/20 0.33
GAA P10253 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
NR3C2 P08235 1/20 0.31
PTGS1 P23219 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL4477952 0.83 DAO (0.40) DAOPTGESCYP1A1CYP1A2CYP1B1
SCHEMBL4480629 0.77 DAO (0.44) DAOSLC2A1
SCHEMBL4483678 0.77 TYMP (0.35) PTGESSLC2A1GAA
SCHEMBL4475363 0.76 NPC1 (0.40) SLC2A1MAPK14PTGS2
Hydrochloric Acid SCHEMBL4480983 0.76 TYMP (0.34) PTGESSLC2A1GAA
SCHEMBL4481366 0.76 SLC2A1 (0.56) DAOSLC2A1NR3C2
SCHEMBL4475703 0.74 PTGES (0.35) PTGESSLC2A1NR3C2
SCHEMBL9262778 0.73 TYMP (0.51) SLC2A1PTGS2GAA
SCHEMBL9266330 0.72 TYMP (0.50) SLC2A1PTGS2GAA
SCHEMBL4469233 0.72 SLC2A1 (0.52) PTGESSLC2A1

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
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US claimed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US claimed
EP-1858876-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2007-11-28 EP claimed
WO-2006094799-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2006-09-14 WO claimed
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 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-20080287461-A1 Pyridinone Derivatives Against Malaria G6PD, PNPO, PLPBP DAO 2428/4885PTGES 842/4885CYP1A1 79/4885

“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.