SCHEMBL4565035

SCHEMBL4565035

Cc1[nH]c(C)c(-c2c[nH]c(-c3ccc(C(F)(F)F)cc3)cc2=O)c(=O)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.39
DAO P14920 3/20 0.34
PARP1 P09874 1/20 0.34
PTGS2 P35354 1/20 0.34
SLC2A1 P11166 1/20 0.34
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
NPY5R Q15761 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SLC11A2 P49281 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
SCHEMBL4492022 0.89 MAPT (0.41) SLC2A1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4491224 0.88 DAO (0.34) TNKSDAOSLC2A1MAPTALDH1A1
SCHEMBL4472776 0.88 BIRC5 (0.38) TNKSDAOSLC2A1MAPT
SCHEMBL4475367 0.87 ADORA2A (0.39) PTGS2SLC2A1RAB9AMAPTALDH1A1
SCHEMBL4486317 0.87 MAPT (0.35) SLC2A1MAPTALDH1A1
SCHEMBL4485647 0.87 HSD11B1 (0.35) DAOSLC2A1MAPTALDH1A1
SCHEMBL4478743 0.87 SLC2A1 (0.42) SLC2A1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4472791 0.86 SLC2A1 (0.46) TNKSDAOPARP1PTGS2SLC2A1
SCHEMBL4480202 0.86 SCN9A (0.36) SLC2A1RAB9AMAPTSMN1; SMN2
SCHEMBL4490716 0.85 SCN10A (0.37) PTGS2SLC2A1

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
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
EP-1858876-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006094799-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2006-09-14 WO 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 TNKS 1142/4885DAO 2428/4885PARP1 791/4885

“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.