SCHEMBL4473827

SCHEMBL4473827

COc1ccc(-n2c(=S)[nH]c(=O)c3[nH]cnc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
PKM P14618 2/20 0.49
MPO P05164 2/20 0.45
TPO P07202 2/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.45
RXFP1 Q9HBX9 2/20 0.45
LMNA P02545 1/20 0.45
PPARG P37231 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
ADORA3 P0DMS8 1/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
PRNP P04156 1/20 0.42
GFER P55789 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL4321197 0.83 MPO (0.51) KDM4EMPOTPOMAPTALDH1A1
SCHEMBL1461239 0.79 MPO (0.74) KDM4EMPOTPOALDH1A1HPGD
SCHEMBL4456847 0.78 MPO (0.46) KDM4EMPOTPOMAPTALDH1A1
SCHEMBL14096393 0.76 PKM (0.67) KDM4EPKMMAPTALDH1A1HPGD
SCHEMBL4459189 0.76 MPO (0.49) MPOTPOMAPTALDH1A1HPGD
SCHEMBL4453729 0.76 NPC1 (0.47) KDM4EMPOTPOMAPTALDH1A1
SCHEMBL4455014 0.74 PDE4A (0.54) KDM4EMPOTPOMAPTALDH1A1
SCHEMBL4458262 0.74 ALDH1A1 (0.46) MPOTPOALDH1A1HPGDKMT2A
SCHEMBL4457582 0.74 KMT2A (0.55) KDM4EPKMMAPTALDH1A1HPGD
SCHEMBL4459832 0.74 MPO (0.46) MPOTPOHPGDADORA3PDE4A

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 6 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 claimed
EP-2010534-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120097-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 WO claimed
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 KDM4E 3612/4885PKM 1461/4885MPO 1/4885

“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.