SCHEMBL4455334

SCHEMBL4455334

Nc1c(N=O)c(=O)[nH]c(=S)n1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
XDH P47989 1/20 0.39
OPRL1 P41146 1/20 0.37
TOP2A P11388 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
KCNH2 Q12809 3/20 0.35
ADCYAP1R1 P41586 1/20 0.35
DAO P14920 1/20 0.34
DHFR P00374 1/20 0.34
KIF11 P52732 1/20 0.34
PDE10A Q9Y233 2/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL4500301 0.86 GAA (0.45) GAAXDHOPRL1TOP2AKDM4E
SCHEMBL4456810 0.82 CA12 (0.41) GAAKDM4ELMNA
SCHEMBL4501815 0.81 MEN1 (0.47) GAAKDM4ELMNA
SCHEMBL4454521 0.79 MGLL (0.44) GAAKDM4ELMNA
SCHEMBL4566658 0.78 CA12 (0.38) GAAKDM4ELMNA
SCHEMBL4513599 0.77 GAA (0.69) GAAXDHOPRL1TOP2ADRD2
SCHEMBL4499372 0.77 NSD2 (0.39) GAAXDHKDM4ELMNADRD2
SCHEMBL4471023 0.77 MEN1 (0.44) GAAKDM4ELMNA
SCHEMBL4457887 0.75 PDE4B (0.39) GAAXDHKCNH2DHFRPDE10A
SCHEMBL4471377 0.74 GAA (0.52) GAAXDHKDM4ELMNA

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 3 patents. 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
EP-2010534-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120097-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 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-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX GAA 602/4885XDH 2/4885OPRL1 910/4885

“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.