SCHEMBL1960095

SCHEMBL1960095

COc1ccc(Cn2c(N)c(N=O)c(=O)[nH]c2=S)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.49
RXFP1 Q9HBX9 2/20 0.49
KDM4E B2RXH2 4/20 0.49
TYMS P04818 1/20 0.45
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NTSR1 P30989 1/20 0.44
PNP P00491 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
ALOX15 P16050 1/20 0.41
CMA1 P23946 1/20 0.41
P2RX4 Q99571 1/20 0.40

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
SCHEMBL8578124 0.88 ALDH1A1 (0.51) MEN1KMT2AALDH1A1KDM4ETYMS
SCHEMBL6676636 0.85 GAA (0.52) MEN1KMT2AALDH1A1RXFP1KDM4E
SCHEMBL1958344 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1RXFP1KDM4E
SCHEMBL1958325 0.84 MPO (0.55) MEN1KMT2AALDH1A1RXFP1KDM4E
SCHEMBL4454976 0.79 KMT2A (0.50) MEN1KMT2AALDH1A1RXFP1KDM4E
SCHEMBL8576798 0.78 DAO (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL7031802 0.77 PDE4B (0.45) GAA
SCHEMBL8581809 0.76 DAO (0.48) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1958423 0.74 GAA (0.59) MEN1KMT2AALDH1A1RXFP1KDM4E
SCHEMBL1959860 0.74 ALDH1A1 (0.41) MEN1KMT2AALDH1A1RXFP1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236951-B2 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2012-08-07 US disclosed
EP-2332541-A1 Use of thioxanthine derivatives as MPO inhibitors AstraZeneca AB (SE) 2011-06-15 EP disclosed
US-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-7425560-B2 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2008-09-16 US disclosed
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-10-20 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 (2 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-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors MPO, XDH, EPX MEN1 3293/4885KMT2A 3549/4885ALDH1A1 178/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX MEN1 3293/4885KMT2A 3549/4885ALDH1A1 178/4885

“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.