SCHEMBL1536715

SCHEMBL1536715

CC(C)Cn1c(=S)[nH]c(=O)c2[nH]cc(Br)c21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ MPO P05164 10/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TPO P07202 9/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ADORA2A P29274 2/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL5344368 0.81 KDM4E (0.37) ALDH1A1MPOOPRM1SMN1; SMN2TPO
SCHEMBL1536784 0.72 MPO (0.66) MPOOPRM1TPOCYP3A4KCNH2
SCHEMBL1460828 0.71 ADORA2A (0.59) ALDH1A1MPOSMN1; SMN2TPOADORA2A
SCHEMBL1460863 0.68 PDE4A (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1ADORA2A
SCHEMBL1958856 0.67 SMN1; SMN2 (0.46) ALDH1A1OPRM1SMN1; SMN2KMT2AKDM4E
SCHEMBL28896358 0.67 MPO (0.61) ALDH1A1MPOOPRM1SMN1; SMN2TPO
SCHEMBL1959299 0.67 PDE1A (0.58) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL5469805 0.63 PDE1A (0.47) ALDH1A1MPOSMN1; SMN2TPOKMT2A
SCHEMBL28896211 0.63 MPO (0.58) ALDH1A1MPOOPRM1SMN1; SMN2TPO
SCHEMBL9420353 0.63 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1

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 33 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
EP-1824855-B1 Novel pyrrolo [3, 2-d]pyrimidin-4-one derivatives and their use in therapy ASTRAZENECA AB (SE) 2012-08-08 — — EP 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
US-20110059996-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-03-10 — — US claimed
US-20090054468-A1 New Use 938 ASTRAZENECA AB (SE) 2009-02-26 — — US claimed
US-20080221136-A1 neuroinflammatory, cardiovascular and respiratory disorders; inhibitors of Myeloperoxidase found predominantly in polymorphonuclear leukocytes; 1-butyl-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one ASTRAZENECA AB (SE) 2008-09-11 — — US claimed
JP-2008522968-A — — 2008-07-03 — — JP claimed
EP-1824855-A1 NOVEL PYRROLO [3, 2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-08-29 — — EP claimed
WO-2006062465-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-15 — — 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
US-20200405724-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSTEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2020-12-31 — — US disclosed
US-10772890-B2 Use of myeloperoxidase (MPO) inhibitors or pharmaceutically acceptable salts thereof to treat multiple system atrophy (MSA) 938 ASTRAZENECA AB (SE) 2020-09-15 — — US disclosed
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 disclosed
US-20090053176-A1 New Combination 937 ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
US-20090054468-A1 New Use 938 ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
US-20080221136-A1 neuroinflammatory, cardiovascular and respiratory disorders; inhibitors of Myeloperoxidase found predominantly in polymorphonuclear leukocytes; 1-butyl-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one ASTRAZENECA AB (SE) 2008-09-11 — — US disclosed
EP-1824855-A1 NOVEL PYRROLO [3, 2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-08-29 — — EP disclosed
WO-2006062465-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-15 — — 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 (9 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-10772890-B2 Use of myeloperoxidase (MPO) inhibitors or pharmaceutically acceptable salts thereof to treat multiple system atrophy (MSA) 938 MPO, CAT, SOD1 ALDH1A1 1073/4885MPO 1/4885OPRM1 2120/4885
US-20110059996-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY MPO, EPX, XDH ALDH1A1 296/4885MPO 1/4885OPRM1 636/4885
US-20140221400-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT ALDH1A1 1797/4885MPO 1/4885OPRM1 2040/4885
US-20200405724-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSTEM ATROPHY (MSA) 938 MPO, CAT, HTT ALDH1A1 1154/4885MPO 1/4885OPRM1 2166/4885
US-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT ALDH1A1 1797/4885MPO 1/4885OPRM1 2040/4885
US-20080221136-A1 neuroinflammatory, cardiovascular and respiratory disorders; inhibitors of Myeloperoxidase found predominantly in polymorphonuclear leukocytes; 1-butyl-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one MPO, EPX, SERPINB1 ALDH1A1 230/4885MPO 1/4885OPRM1 620/4885
US-20090053176-A1 New Combination 937 MPO, PARK7, CAT ALDH1A1 830/4885MPO 1/4885OPRM1 2769/4885
US-20090054468-A1 New Use 938 MPO, CAT, HTT ALDH1A1 928/4885MPO 1/4885OPRM1 2106/4885
US-20110207755-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT ALDH1A1 1797/4885MPO 1/4885OPRM1 2040/4885

“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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