SCHEMBL1960677

SCHEMBL1960677

CC(C)Cn1c(N)c(NC=O)c(=O)[nH]c1=S

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.50
▸ ALDH1A1 P00352 10/20 0.50
▸ KMT2A Q03164 7/20 0.50
▸ MEN1 O00255 6/20 0.50
▸ GAA P10253 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MPO P05164 1/20 0.32
▸ TPO P07202 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPT P10636 1/20 0.30

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
SCHEMBL10699801 0.86 KDM4E (0.68) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL1958079 0.84 KDM4E (0.54) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL1958856 0.79 SMN1; SMN2 (0.46) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL1962737 0.72 SMN1; SMN2 (0.41) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL10667165 0.70 KDM4E (0.63) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL6673604 0.66 EPHX2 (0.42) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL1958327 0.64 MTNR1A (0.52) KDM4EALDH1A1KMT2AMEN1GAA
Formic Acid SCHEMBL6687413 0.63 EPHX2 (0.40) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL7673685 0.62 MEN1 (0.56) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL1945331 0.62 KDM4E (0.64) KDM4EALDH1A1KMT2AMEN1GAA

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 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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