SCHEMBL1961909

SCHEMBL1961909

COCCn1c(N)c(N)c(=O)[nH]c1=S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
HSD17B10 Q99714 2/20 0.45
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 3/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
RXFP1 Q9HBX9 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 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
SCHEMBL1946807 0.83 MEN1 (0.56) ALDH1A1L3MBTL1PKMPOLBMEN1
SCHEMBL1959860 0.82 ALDH1A1 (0.41) ALDH1A1HSD17B10RAB9AL3MBTL1PKM
SCHEMBL1963404 0.77 ALDH1A1 (0.51) ALDH1A1HSD17B10RAB9AL3MBTL1PKM
SCHEMBL562514 0.77 MAPK10 (0.51) ALDH1A1L3MBTL1PKMMEN1KMT2A
Hydrochloric Acid SCHEMBL7028005 0.76 MAPT (0.43) ALDH1A1HSD17B10POLBMEN1KMT2A
SCHEMBL1958856 0.75 SMN1; SMN2 (0.46) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL8579776 0.74 MAPT (0.49) ALDH1A1L3MBTL1PKMMEN1KMT2A
SCHEMBL1958334 0.74 L3MBTL1 (0.50) ALDH1A1HSD17B10RAB9AL3MBTL1PKM
SCHEMBL1958324 0.73 GAA (0.59) ALDH1A1HSD17B10RAB9AL3MBTL1PKM
SCHEMBL1461123 0.71 PDE4A (0.57) ALDH1A1HSD17B10PKMPOLBMAPK1

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 ALDH1A1 178/4885HSD17B10 796/4885RAB9A 2798/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX ALDH1A1 178/4885HSD17B10 796/4885RAB9A 2798/4885

“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.