SCHEMBL4479235

SCHEMBL4479235

Cc1cc(=O)c(-c2ccc(CCc3cccc(C(F)(F)F)c3)nc2)c(C)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
DAO P14920 2/20 0.40
NR3C2 P08235 1/20 0.39
MAOB P27338 1/20 0.39
F2R P25116 1/20 0.38
RAB9A P51151 1/20 0.38
DPP4 P27487 1/20 0.38
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
HTR2B P41595 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PTGS2 P35354 1/20 0.37
ABHD6 Q9BV23 1/20 0.36
HPSE Q9Y251 1/20 0.36
SLC26A3 P40879 1/20 0.36
BRD4 O60885 1/20 0.36
TNIK Q9UKE5 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4468876 0.89 PTGS2 (0.43) DAONR3C2MAOBRAB9AHTR2B
SCHEMBL5096515 0.82 SLC2A1 (0.51) SLC2A1DAONR3C2RAB9ADPP4
SCHEMBL4471452 0.80 KDM1A (0.44) MAOBRAB9AGRIN1GRIN2BPTGS2
SCHEMBL4481366 0.76 SLC2A1 (0.56) SLC2A1DAONR3C2RAB9ADPP4
SCHEMBL4478990 0.76 SLC2A1 (0.72) SLC2A1DAONR3C2RAB9ADPP4
SCHEMBL4469249 0.76 GRM5 (0.44) SLC2A1GRIN1GRIN2BPTGS2
SCHEMBL13761581 0.74 PTGS2 (0.48) MAOBPTGS2BRD4MAPT
SCHEMBL9271388 0.70 PTGS2 (0.45) PTGS2MAPT
SCHEMBL4484283 0.69 DAO (0.44) SLC2A1DAORAB9APTGS2MAPT
SCHEMBL13754675 0.68 PKM (0.43) SLC2A1RAB9APTGS2BRD4MAPT

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 2 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-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 SLC2A1 2278/4885DAO 2428/4885NR3C2 3788/4885

“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.