SCHEMBL4471452

SCHEMBL4471452

Cc1cc(=O)c(-c2ccc(-c3cccc(C(F)(F)F)c3)nc2)c(C)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.44
MAOB P27338 2/20 0.44
DHODH Q02127 1/20 0.43
IDO1 P14902 1/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMO O15229 1/20 0.41
PTGS2 P35354 1/20 0.40
NOTUM Q6P988 1/20 0.40
SLC11A2 P49281 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GABRA1 P14867 1/20 0.40
HPGD P15428 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40

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
SCHEMBL13761581 0.88 PTGS2 (0.48) KDM1AMAOBIDO1PTGS2NOTUM
SCHEMBL13754677 0.83 PTGS2 (0.44) DHODHPTGS2ALDH1A1CYP3A4HPGD
SCHEMBL4479235 0.80 SLC2A1 (0.42) MAOBRAB9APTGS2TDP1BRD4
SCHEMBL4469249 0.80 GRM5 (0.44) PTGS2GRIN1GRIN2B
SCHEMBL4486775 0.80 SLC2A1 (0.46) KDM1AMAOBDHODHIDO1SLC11A2
SCHEMBL4477921 0.79 DGAT1 (0.42)
SCHEMBL4485182 0.78 PTGS2 (0.44) PTGS2NOTUMCYP1A2
SCHEMBL4485765 0.77 MAPT (0.37) KDM1ANPC1RAB9APTGS2KDM4E
SCHEMBL4478340 0.76 NOTUM (0.35) PTGS2NOTUM
SCHEMBL9259828 0.76 PTGS2 (0.61) MAOBPTGS2NOTUMCYP1A2CYP3A4

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 KDM1A 1359/4885MAOB 351/4885DHODH 99/4885

“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.