SCHEMBL4500301

SCHEMBL4500301

Nc1c(N)n(-c2cccc(OC(F)(F)F)c2)c(=S)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
XDH P47989 1/20 0.42
TOP2A P11388 1/20 0.39
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
KCNH2 Q12809 2/20 0.37
OPRL1 P41146 1/20 0.37
ADCYAP1R1 P41586 1/20 0.37
DAO P14920 1/20 0.37
DHFR P00374 1/20 0.37
PDE10A Q9Y233 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
NOTUM Q6P988 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRNP P04156 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL4457887 0.88 PDE4B (0.39) GAAXDHKCNH2DHFRPDE10A
SCHEMBL4455334 0.86 GAA (0.42) GAAXDHTOP2ADRD2DRD3
SCHEMBL4465236 0.83 KDM4E (0.50) GAAXDHKDM4EMEN1ALDH1A1
SCHEMBL4513599 0.81 GAA (0.69) GAAXDHTOP2ADRD2DRD3
SCHEMBL4495172 0.80 GAA (0.44) GAAKDM4ELMNAMEN1ALDH1A1
SCHEMBL4454086 0.79 ALDH1A1 (0.49) GAAXDHKDM4ELMNAMEN1
SCHEMBL4456850 0.78 MPO (0.43) GAAXDHPDE10A
SCHEMBL4488530 0.77 MGLL (0.48) GAAKDM4ELMNAALDH1A1
SCHEMBL4489173 0.74 NSD2 (0.42) GAAXDHDRD2DRD3KDM4E
SCHEMBL4566658 0.72 CA12 (0.38) GAAKDM4ELMNAMEN1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-11-19 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-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX GAA 602/4885XDH 2/4885TOP2A 842/4885

“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.