SCHEMBL1960199

SCHEMBL1960199

Nc1c(N=O)c(=O)[nH]c(=S)n1Cc1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.49
POLB P06746 6/20 0.49
HPGD P15428 4/20 0.49
RECQL P46063 4/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 4/20 0.48
PNP P00491 2/20 0.46
MAPT P10636 7/20 0.45
PKM P14618 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MCL1 Q07820 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 3/20 0.41
BLM P54132 2/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL1958885 0.84 TSHR (0.52) ALDH1A1POLBHPGDRECQLUSP2
SCHEMBL1960192 0.74 TSHR (0.75) ALDH1A1POLBHPGDRECQLTSHR
SCHEMBL1461132 0.72 MPO (0.61) ALDH1A1POLBHPGDRECQLUSP2
SCHEMBL8135676 0.70 TSHR (0.62) ALDH1A1POLBHPGDRECQLTSHR
SCHEMBL1959860 0.69 ALDH1A1 (0.41) ALDH1A1POLBHPGDRECQLUSP2
SCHEMBL562680 0.69 MAPK10 (0.47) ALDH1A1POLBRECQLPNPMAPT
SCHEMBL6676636 0.69 GAA (0.52) ALDH1A1HPGDUSP2TSHRMAPT
SCHEMBL1962737 0.69 SMN1; SMN2 (0.41) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL1958096 0.68 ALDH1A1 (0.40) ALDH1A1POLBHPGDTSHRMEN1
SCHEMBL1958334 0.68 L3MBTL1 (0.50) ALDH1A1POLBRECQLUSP2MAPT

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 178/4885POLB 1017/4885HPGD 271/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX ALDH1A1 178/4885POLB 1017/4885HPGD 271/4885

“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.