SCHEMBL4513599

SCHEMBL4513599

Nc1cc(=O)[nH]c(=S)n1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
XDH P47989 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 1/20 0.42
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
KCNH2 Q12809 3/20 0.40
TOP2A P11388 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
OPRL1 P41146 1/20 0.38
DHFR P00374 1/20 0.37
HPGD P15428 1/20 0.37
NOTUM Q6P988 1/20 0.37
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KIF11 P52732 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
SCHEMBL4500301 0.81 GAA (0.45) GAAXDHALDH1A1KMT2AMEN1
SCHEMBL4456873 0.80 GAA (0.69) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL4489566 0.78 GAA (0.67) GAAXDHALDH1A1KMT2AMEN1
SCHEMBL7083963 0.77 ALDH1A1 (0.66) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL4455334 0.77 GAA (0.42) GAAXDHDRD2DRD3KCNH2
SCHEMBL4471375 0.76 GAA (0.61) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL4456850 0.74 MPO (0.43) GAAXDH
SCHEMBL4492543 0.74 GAA (0.61) GAAXDHALDH1A1KMT2AMEN1
SCHEMBL4495436 0.71 ATM (0.55) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL4563145 0.71 DHFR (0.44) XDHDRD2DRD3KCNH2DHFR

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 2/4885ALDH1A1 296/4885

“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.