SCHEMBL4477952

SCHEMBL4477952

Cc1cc(=O)c(-c2ccc(CCc3ccc(F)cc3F)nc2)c(C)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.40
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
PTGS2 P35354 3/20 0.34
QPCT Q16769 2/20 0.34
QPCTL Q9NXS2 1/20 0.34
GAA P10253 1/20 0.33
PTGES O14684 1/20 0.33
MAPK14 Q16539 1/20 0.32
NR3C2 P08235 1/20 0.32
PTGS1 P23219 1/20 0.32
P2RX7 Q99572 1/20 0.32
MAOB P27338 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
AKT1 P31749 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL4493461 0.83 DAO (0.36) DAOCYP1A1CYP1A2CYP1B1PTGS2
SCHEMBL4484283 0.77 DAO (0.44) DAOPTGS2
SCHEMBL5096515 0.74 SLC2A1 (0.51) DAONR3C2
SCHEMBL4477954 0.74 DAO (0.49) DAOKEAP1NFE2L2PTGS2NR3C2
SCHEMBL9455077 0.73 KEAP1 (0.49) KEAP1NFE2L2PTGS2MAPK14
SCHEMBL9259612 0.72 KEAP1 (0.47) KEAP1NFE2L2PTGS2MAPK14
SCHEMBL9134640 0.68 MAT2A (0.41)
SCHEMBL13754678 0.67 HPGDS (0.48) CYP1A2GAA
SCHEMBL3395824 0.66 KDM1A (0.40)
SCHEMBL13761994 0.66 MAPT (0.43) PTGS2MAOB

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 disclosed
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
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
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 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 2428/4885CYP1A1 79/4885CYP1A2 22/4885

“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.