SCHEMBL425616

SCHEMBL425616

COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(CN3CCOCC3)s2)cc1OC

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.85
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
STAT3 P40763 1/20 0.43
HTR6 P50406 1/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.41
MYD88 Q99836 1/20 0.41

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
SCHEMBL422729 0.93 KMO (0.98) KMOALDH1A1POLBMAPTSTAT3
SCHEMBL424366 0.92 KMO (1.00) KMOALDH1A1POLBMAPTSTAT3
SCHEMBL29639005 0.92 KMO (1.00) KMOALDH1A1POLBMAPTSTAT3
SCHEMBL425012 0.92 KMO (0.87) KMOALDH1A1POLBMAPTSTAT3
SCHEMBL428975 0.92 KMO (0.87) KMOALDH1A1POLBMAPTPKM
SCHEMBL10148120 0.85 KMO (0.63) KMOALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL424487 0.85 KMO (0.81) KMOALDH1A1POLBMAPTSTAT3
SCHEMBL429355 0.84 KMO (1.00) KMOALDH1A1POLBMAPTSTAT3
SCHEMBL10148194 0.84 KMO (0.84) KMOALDH1A1POLBMAPTSTAT3
SCHEMBL17146455 0.84 KMO (0.82) KMOALDH1A1POLBMAPTSTAT3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054397-B1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2015-10-07 EP claimed
US-7994338-B2 An enzyme in the tryptophan degradation pathway, used to treat neurodegenerative disorders, certain cancers, drug addiction; 2-sulfonamido-substituted oxazole, imidazole or thiazole compounds such as 3,4-dimethoxy-N-[4-(3-nitrophenyl)-5-dimethylaminomethyl-1,3-thiazole-2-yl]benzenesulfonamide THE J. DAVID GLADSTONE INSTITUTES (US) 2011-08-09 US claimed
US-20080070905-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 US claimed
EP-2054397-B1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2015-10-07 EP disclosed
EP-2054397-B1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2015-10-07 EP disclosed
US-8710237-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTE (US) 2014-04-29 US disclosed
US-8710237-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTE (US) 2014-04-29 US disclosed
US-20120022052-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER 2012-01-26 US disclosed
US-20120022052-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER 2012-01-26 US disclosed
US-7994338-B2 An enzyme in the tryptophan degradation pathway, used to treat neurodegenerative disorders, certain cancers, drug addiction; 2-sulfonamido-substituted oxazole, imidazole or thiazole compounds such as 3,4-dimethoxy-N-[4-(3-nitrophenyl)-5-dimethylaminomethyl-1,3-thiazole-2-yl]benzenesulfonamide THE J. DAVID GLADSTONE INSTITUTES (US) 2011-08-09 US disclosed
US-7994338-B2 An enzyme in the tryptophan degradation pathway, used to treat neurodegenerative disorders, certain cancers, drug addiction; 2-sulfonamido-substituted oxazole, imidazole or thiazole compounds such as 3,4-dimethoxy-N-[4-(3-nitrophenyl)-5-dimethylaminomethyl-1,3-thiazole-2-yl]benzenesulfonamide THE J. DAVID GLADSTONE INSTITUTES (US) 2011-08-09 US disclosed
US-7994338-B2 An enzyme in the tryptophan degradation pathway, used to treat neurodegenerative disorders, certain cancers, drug addiction; 2-sulfonamido-substituted oxazole, imidazole or thiazole compounds such as 3,4-dimethoxy-N-[4-(3-nitrophenyl)-5-dimethylaminomethyl-1,3-thiazole-2-yl]benzenesulfonamide THE J. DAVID GLADSTONE INSTITUTES (US) 2011-08-09 US disclosed
EP-2054397-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2009-05-06 EP disclosed
US-20080070905-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 US disclosed
US-20080070905-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 US disclosed
US-20080070905-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 US disclosed
WO-2008022281-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2008-02-21 WO disclosed
WO-2008022281-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2008-02-21 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-20120022052-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 KMO 1/4885ALDH1A1 843/4885POLB 2002/4885
US-20080070905-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 KMO 1/4885ALDH1A1 843/4885POLB 2002/4885

“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.