SCHEMBL4456810

SCHEMBL4456810

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
GAA P10253 2/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MDM2 Q00987 1/20 0.35
HPGD P15428 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4566658 0.95 CA12 (0.38) CA12CA1CA2CA9GAA
SCHEMBL4501815 0.86 MEN1 (0.47) CA12CA1CA2CA9GAA
SCHEMBL4495172 0.84 GAA (0.44) CA12CA1CA2CA9GAA
SCHEMBL4455334 0.82 GAA (0.42) GAAKDM4ELMNA
SCHEMBL4454521 0.81 MGLL (0.44) GAAMGLLKDM4ELMNAMEN1
SCHEMBL4499372 0.81 NSD2 (0.39) GAAKDM4ELMNAMEN1KMT2A
SCHEMBL4471023 0.81 MEN1 (0.44) CA12CA1CA2CA9GAA
SCHEMBL4471377 0.79 GAA (0.52) CA12CA1CA2CA9GAA
SCHEMBL4458183 0.77 GRIN2D (0.38) CA12CA1CA2CA9GAA
SCHEMBL4492126 0.76 MAPT (0.47) CA12CA1CA2CA9GAA

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 CA12 3002/4885CA1 1389/4885CA2 3308/4885

“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.