SCHEMBL1461132

SCHEMBL1461132

O=c1[nH]c(=S)n(Cc2ccco2)c2nc[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 6/20 0.61
▸ TPO P07202 4/20 0.61
▸ PDE4A P27815 3/20 0.51
▸ PDE4B Q07343 3/20 0.51
▸ PDE4C Q08493 3/20 0.51
▸ PDE4D Q08499 3/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PNP P00491 3/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ MAPT P10636 1/20 0.47
▸ ADORA2A P29274 2/20 0.45
▸ TSHR P16473 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL2288047 0.77 MPO (0.62) MPOTPOPDE4APDE4BPDE4C
SCHEMBL1460860 0.76 MPO (1.00) MPOTPOPDE4APDE4BPDE4C
SCHEMBL2286250 0.76 MPO (0.77) MPOTPOPDE4APDE4BPDE4C
SCHEMBL1958885 0.76 TSHR (0.52) KMT2APNPCYP3A4ALDH1A1POLB
SCHEMBL2285006 0.75 MPO (0.61) MPOTPOPDE4APDE4BPDE4C
SCHEMBL31025321 0.75 MPO (0.67) MPOTPOPDE4APDE4BPDE4C
SCHEMBL2278851 0.75 MPO (0.67) MPOTPOPDE4APDE4BPDE4C
SCHEMBL2288691 0.74 MPO (0.54) MPOTPOPDE4APDE4BPDE4C
SCHEMBL2287220 0.74 MPO (0.62) MPOTPOPDE4APDE4BPDE4C
SCHEMBL2282109 0.73 MPO (0.58) MPOTPOPDE4APDE4BPDE4C

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020021300-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-01-30 — — WO claimed
US-20140221400-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2014-08-07 — — US claimed
US-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2013-03-07 — — US claimed
US-20110207755-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2011-08-25 — — US claimed
JP-4649112-B2 — — 2011-03-09 — — JP claimed
EP-2200616-A1 MIPO INHIBITORS FOR THE TREATMENT OF HUNTINGTON'S DISEASE AND MULTIPLE SYSTEM ATROPHY AstraZeneca AB (SE) 2010-06-30 — — EP claimed
WO-2009025618-A1 MIPO INHIBITORS FOR THE TREATMENT OF HUNTINGTON'S DISEASE AND MULTIPLE SYSTEM ATROPHY ASTRAZENECA AB (SE) 2009-02-26 — — WO claimed
US-20090054468-A1 New Use 938 ASTRAZENECA AB (SE) 2009-02-26 — — US claimed
US-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 — — US claimed
CN-100379737-C Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2008-04-09 — — CN claimed
CN-101062037-A Thioxanthine derivatives, process for their preparation (variants), their use and composition containing them ASTRAZENECA AB (SE) 2007-10-31 — — CN claimed
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-10-20 — — US claimed
JP-2005526836-A — — 2005-09-08 — — JP claimed
CN-1646531-A Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-07-27 — — CN claimed
EP-1499613-A1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS AstraZeneca AB (SE) 2005-01-26 — — EP claimed
WO-2003089430-A1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-30 — — WO claimed
CN-113633641-A MPO inhibitors for the treatment of huntington's disease and multiple system atrophy 阿斯利康(瑞典)有限公司 2021-11-12 — — CN disclosed
WO-2021013942-A1 USE OF MYELOPEROXIDASE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES IN PATIENTS SUFFERING FROM MYELOPROLIFERATIVE NEOPLASMS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-01-28 — — WO disclosed
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-10-20 — — US disclosed
CN-1646531-A Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-07-27 — — CN 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 (6 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-20140221400-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT MPO 1/4885TPO 87/4885PDE4A 814/4885
US-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors MPO, XDH, EPX MPO 1/4885TPO 5/4885PDE4A 793/4885
US-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT MPO 1/4885TPO 87/4885PDE4A 814/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX MPO 1/4885TPO 5/4885PDE4A 793/4885
US-20090054468-A1 New Use 938 MPO, CAT, HTT MPO 1/4885TPO 199/4885PDE4A 429/4885
US-20110207755-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT MPO 1/4885TPO 87/4885PDE4A 814/4885

“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.

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