SCHEMBL1960103

SCHEMBL1960103

Nc1cc(=O)[nH]c(=S)n1CC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
ALDH1A1 P00352 4/20 0.63
MEN1 O00255 3/20 0.63
CYP3A4 P08684 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MTOR P42345 3/20 0.36
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 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
SCHEMBL1959768 0.92 ALDH1A1 (0.73) KMT2AALDH1A1MEN1CYP3A4SMN1; SMN2
SCHEMBL10735070 0.86 KMT2A (0.85) KMT2AALDH1A1MEN1CYP3A4SMN1; SMN2
SCHEMBL1959309 0.78 MPO (0.56) KMT2AALDH1A1MEN1CYP3A4SMN1; SMN2
SCHEMBL1945404 0.78 ALDH1A1 (1.00) KMT2AALDH1A1MEN1CYP3A4SMN1; SMN2
SCHEMBL7783070 0.77 MEN1 (0.45) KMT2AALDH1A1MEN1CYP3A4SMN1; SMN2
SCHEMBL1958336 0.76 KMT2A (0.38) KMT2AALDH1A1MEN1CYP3A4SMN1; SMN2
SCHEMBL5860176 0.73 ALDH1A1 (0.47) KMT2AALDH1A1MEN1CYP3A4SMN1; SMN2
SCHEMBL7784449 0.73 ALDH1A1 (0.47) KMT2AALDH1A1MEN1CYP3A4SMN1; SMN2
SCHEMBL1961907 0.71 MEN1 (0.35) KMT2AALDH1A1MEN1CYP3A4SMN1; SMN2
SCHEMBL2484816 0.71 ALDH1A1 (0.35) KMT2AALDH1A1MEN1CYP3A4SMN1; SMN2

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 8 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-1499613-B1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS ASTRAZENECA AB (SE) 2011-10-19 EP 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
EP-1499613-A1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS AstraZeneca AB (SE) 2005-01-26 EP disclosed
WO-2003089430-A1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-30 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 (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 KMT2A 3549/4885ALDH1A1 178/4885MEN1 3293/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX KMT2A 3549/4885ALDH1A1 178/4885MEN1 3293/4885

“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.