SCHEMBL1958079

SCHEMBL1958079

CNc1c(N)n(CC(C)C)c(=S)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.54
▸ ALDH1A1 P00352 10/20 0.54
▸ KMT2A Q03164 7/20 0.54
▸ MEN1 O00255 6/20 0.54
▸ GAA P10253 4/20 0.54
▸ LMNA P02545 2/20 0.54
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MPO P05164 2/20 0.32
▸ TPO P07202 2/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL1960677 0.84 KDM4E (0.50) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL1958856 0.82 SMN1; SMN2 (0.46) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL1962737 0.76 SMN1; SMN2 (0.41) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL10699801 0.69 KDM4E (0.68) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL1958327 0.67 MTNR1A (0.52) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL14205210 0.67 KDM4E (0.68) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL1945331 0.65 KDM4E (0.64) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL1460828 0.65 ADORA2A (0.59) ALDH1A1HPGDSMN1; SMN2MPOTPO
Hydrochloric Acid SCHEMBL7028005 0.64 MAPT (0.43) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL1959299 0.63 PDE1A (0.58) KDM4EALDH1A1KMT2AMEN1HPGD

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 7 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
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 KDM4E 3438/4885ALDH1A1 178/4885KMT2A 3549/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX KDM4E 3438/4885ALDH1A1 178/4885KMT2A 3549/4885

“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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