SCHEMBL633487

SCHEMBL633487

COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.66
PLAU P00749 1/20 0.50
POLB P06746 2/20 0.48
ADORA2A P29274 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 2/20 0.44
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM1A O60341 1/20 0.44

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
SCHEMBL633266 0.86 CA12 (0.57) KMOCA12CA9LMNAALDH1A1
SCHEMBL633289 0.85 KMO (0.56) KMOADORA2ALMNAALDH1A1KDM1A
SCHEMBL634252 0.83 KMO (0.62) KMOPLAUPOLBABCG2L3MBTL1
SCHEMBL10119713 0.82 KMO (0.60) KMOPLAUPOLBL3MBTL1HPGD
SCHEMBL633155 0.80 KMO (0.71) KMOPLAUPOLBABCG2ALDH1A1
SCHEMBL29379527 0.79 KMO (1.00) KMOPOLBLMNAKDM1A
SCHEMBL424256 0.79 KMO (1.00) KMOPOLBLMNAKDM1A
SCHEMBL633335 0.77 KMO (0.65) KMOPLAUPOLBABCG2L3MBTL1
SCHEMBL633393 0.77 KMO (0.72) KMOPLAUPOLBHPGDALDH1A1
SCHEMBL10148194 0.74 KMO (0.84) KMOPLAUPOLBHPGDHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466182-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2013-06-18 US claimed
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED 2012-02-23 US claimed
EP-2054056-A2 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 claimed
US-20080070937-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 US claimed
WO-2008022286-A2 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 claimed
US-8466182-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2013-06-18 US disclosed
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED 2012-02-23 US disclosed
EP-2420494-A1 Use of thiadiazole compounds as inhibitors of kynurenine-3-monooxygenase The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2012-02-22 EP disclosed
US-8071631-B2 An enzyme in the tryptophan degradation pathway, used to treat neurodegenerative disorders, certain cancers, drug addiction; arylsulfonamides such as 3,4-dimethoxy-N-[5-(4-chlorophenyl)-1,2,4-thiadiazole-3-yl]benzenesulfonamide THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2011-12-06 US disclosed
EP-2054056-A2 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-20080070937-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 US disclosed
WO-2008022286-A2 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-20080070937-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 KMO 1/4885PLAU 1828/4885POLB 2514/4885
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 KMO 1/4885PLAU 1828/4885POLB 2514/4885

“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.