SCHEMBL4454521

SCHEMBL4454521

CCc1cccc(-n2c(N)c(N=O)c(=O)[nH]c2=S)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.44
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.36
POLB P06746 2/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4454534 0.93 GAA (0.48) MGLLKDM4ELMNAALOX5GAA
SCHEMBL4488530 0.85 MGLL (0.48) MGLLKDM4ELMNAALOX5GAA
SCHEMBL4501815 0.83 MEN1 (0.47) MGLLKDM4ELMNAGAACYP2C9
SCHEMBL4456810 0.81 CA12 (0.41) MGLLKDM4ELMNAALOX5GAA
SCHEMBL4455334 0.79 GAA (0.42) KDM4ELMNAGAA
SCHEMBL4499372 0.79 NSD2 (0.39) KDM4ELMNAALOX5GAAALDH1A1
SCHEMBL4471023 0.79 MEN1 (0.44) MGLLKDM4ELMNAGAACYP2C9
SCHEMBL4566658 0.78 CA12 (0.38) MGLLKDM4ELMNAGAAPOLB
SCHEMBL4471375 0.76 GAA (0.61) MGLLALOX5GAAPOLBCYP2C9
SCHEMBL4471377 0.76 GAA (0.52) KDM4ELMNAGAACYP2C9HPGD

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 MGLL 1120/4885KDM4E 3612/4885LMNA 2525/4885

“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.