SCHEMBL4470829

SCHEMBL4470829

Cc1cc(=O)c(-c2c[nH]c(C#Cc3ccc(C(F)(F)F)cc3)cc2=O)c(C)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
DAO P14920 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
RAB9A P51151 1/20 0.32
IDH1 O75874 1/20 0.31
PTGS2 P35354 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL4464123 0.84 SLC2A1 (0.41) MAPTDAOPTGDR2TRPV1
SCHEMBL4483755 0.84 PTGDR2 (0.33) MAPTDAOPTGDR2TRPV1
SCHEMBL4484287 0.76 DAO (0.49) MAPTDAO
SCHEMBL4470825 0.72 PTGES (0.44) MAPTRAB9APTGS2TRPV1
SCHEMBL9454944 0.72 MAPT (0.53) MAPTDAORAB9APTGS2
SCHEMBL4486777 0.72 SCN2A (0.40) MAPT
SCHEMBL9267476 0.66 MAPT (0.46) MAPTDAORAB9APTGS2
SCHEMBL4565035 0.64 TNKS (0.39) MAPTDAORAB9APTGS2
SCHEMBL4472791 0.64 SLC2A1 (0.46) MAPTDAORAB9APTGS2TRPV1
SCHEMBL13761994 0.64 MAPT (0.43) MAPTRAB9APTGS2TRPV1

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 MAPT 1942/4885DAO 2428/4885PTGDR2 1148/4885

“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.