SCHEMBL5004075

SCHEMBL5004075

NC1(N)CC(=O)NC(=S)N1Cc1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
MEN1 O00255 4/20 0.56
POLB P06746 4/20 0.56
KMT2A Q03164 4/20 0.56
RECQL P46063 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
USP2 O75604 3/20 0.56
APEX1 P27695 2/20 0.56
KDM4E B2RXH2 2/20 0.56
THRB P10828 2/20 0.56
BLM P54132 2/20 0.56
HPGD P15428 2/20 0.56
ALOX12 P18054 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.47
HSD17B10 Q99714 2/20 0.47
PSMD14 O00487 1/20 0.47
MMP2 P08253 1/20 0.47
DNMT1 P26358 1/20 0.47
PTPN7 P35236 1/20 0.47
HBB P68871 1/20 0.47

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
SCHEMBL7741927 0.72 MEN1 (0.59) MAPTMEN1POLBKMT2ARECQL
SCHEMBL11157478 0.65 MAPT (0.61) MAPTMEN1POLBKMT2ARECQL
SCHEMBL23009248 0.65 KDM4E (0.63) MAPTMEN1POLBKMT2ARECQL
SCHEMBL2115613 0.64 MAPT (1.00) MAPTMEN1POLBKMT2ARECQL
SCHEMBL7741940 0.64 MAPT (0.56) MAPTMEN1POLBKMT2ARECQL
SCHEMBL7746976 0.63 MAPT (0.55) MAPTMEN1POLBKMT2ARECQL
SCHEMBL14938712 0.62 ALDH1A1 (0.68) MAPTPOLBKMT2ATDP1L3MBTL1
SCHEMBL11362739 0.61 TSHR (0.59) MAPTMEN1POLBKMT2ARECQL
SCHEMBL1958885 0.60 TSHR (0.52) MAPTMEN1POLBKMT2ARECQL
SCHEMBL1960192 0.60 TSHR (0.75) MAPTMEN1POLBKMT2ARECQL

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 2 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
US-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 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 (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-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors MPO, XDH, EPX MAPT 3184/4885MEN1 3293/4885POLB 1017/4885

“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.