SCHEMBL1959865

SCHEMBL1959865

Nc1c(N=O)c(=O)[nH]c(=S)n1CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.56
▸ MTNR1B P49286 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ DAO P14920 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 4/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ GPR84 Q9NQS5 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1944866 0.88 KMT2A (0.54) MTNR1AMTNR1BDAOKMT2AL3MBTL1
SCHEMBL1960064 0.83 MTNR1A (0.62) MTNR1AMTNR1BSMN1; SMN2DAONPC1
SCHEMBL8576371 0.76 DAO (0.50) DAOKMT2AL3MBTL1KDM4EGAA
SCHEMBL8576759 0.76 KMT2A (0.41) MTNR1AMTNR1BDAOKMT2AL3MBTL1
SCHEMBL1946617 0.76 HPGD (0.59) SMN1; SMN2DAOKMT2AKDM4EMEN1
SCHEMBL1960199 0.74 ALDH1A1 (0.49) KMT2AL3MBTL1KDM4EGAAMEN1
SCHEMBL1946628 0.74 KMT2A (0.54) MTNR1AMTNR1BSMN1; SMN2DAONPC1
SCHEMBL1959860 0.74 ALDH1A1 (0.41) SMN1; SMN2RAB9AKMT2AL3MBTL1KDM4E
SCHEMBL562680 0.74 MAPK10 (0.47) KMT2AKDM4EGAAMEN1GPR84
SCHEMBL1958325 0.74 MPO (0.55) KMT2AL3MBTL1KDM4EGAAMEN1

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 MTNR1A 525/4885MTNR1B 460/4885SMN1; SMN2 1607/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX MTNR1A 525/4885MTNR1B 460/4885SMN1; SMN2 1607/4885

“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.

Send feedback