SCHEMBL1958334

SCHEMBL1958334

COCCCn1c(N)c(N=O)c(=O)[nH]c1=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 7/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 4/20 0.40
RXFP1 Q9HBX9 3/20 0.40
POLB P06746 4/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL1959860 0.92 ALDH1A1 (0.41) L3MBTL1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8578013 0.86 MAPT (0.44) L3MBTL1ALDH1A1KDM4EPOLBMEN1
SCHEMBL562680 0.83 MAPK10 (0.47) ALDH1A1HTTKDM4EPOLBMEN1
SCHEMBL1945858 0.77 MEN1 (0.51) L3MBTL1ALDH1A1KDM4ERXFP1POLB
SCHEMBL1962737 0.74 SMN1; SMN2 (0.41) CYP1A2ALDH1A1HTTKDM4EMEN1
SCHEMBL1961909 0.74 ALDH1A1 (0.45) L3MBTL1CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL1775879 0.72 OPRM1 (0.33) CASP6
SCHEMBL1959865 0.72 MTNR1A (0.56) L3MBTL1ALDH1A1KDM4ERXFP1POLB
SCHEMBL1960095 0.72 MEN1 (0.51) ALDH1A1KDM4ERXFP1MEN1MAPT
SCHEMBL1958096 0.70 ALDH1A1 (0.40) ALDH1A1POLBMEN1KMT2ALMNA

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 L3MBTL1 2862/4885CYP1A2 50/4885CYP2C9 104/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX L3MBTL1 2862/4885CYP1A2 50/4885CYP2C9 104/4885

“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.