SCHEMBL1962737

SCHEMBL1962737

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CASP6 P55212 1/20 0.35
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ PDE2A O00408 2/20 0.31
▸ PDE1A P54750 2/20 0.31
▸ PDE1B Q01064 2/20 0.31
▸ PDE1C Q14123 2/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CFTR P13569 1/20 0.31

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
SCHEMBL1775879 0.85 OPRM1 (0.33) SMN1; SMN2CASP6OPRM1MPO
SCHEMBL1946869 0.84 KDM4E (0.56) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1958856 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1959860 0.77 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL562680 0.77 MAPK10 (0.47) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL1958079 0.76 KDM4E (0.54) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1958096 0.75 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL1958334 0.74 L3MBTL1 (0.50) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL1959286 0.73 CASP6 (0.61) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1960677 0.72 KDM4E (0.50) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1

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 6 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-1499613-B1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS ASTRAZENECA AB (SE) 2011-10-19 — — EP 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 SMN1; SMN2 1607/4885ALDH1A1 178/4885KDM4E 3438/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX SMN1; SMN2 1607/4885ALDH1A1 178/4885KDM4E 3438/4885

“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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