SCHEMBL425531

SCHEMBL425531

COc1ccc(S(=O)(=O)N(CN2CCN(C)CC2)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.56
MAPT P10636 6/20 0.45
ALDH1A1 P00352 3/20 0.45
STAT1 P42224 1/20 0.45
MYD88 Q99836 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
HTR6 P50406 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 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
SCHEMBL424462 0.94 KMO (0.58) KMOMAPTALDH1A1MYD88RECQL
SCHEMBL424436 0.93 KMO (0.57) KMOMAPTALDH1A1MYD88RECQL
SCHEMBL424773 0.92 KMO (0.56) KMOMAPTALDH1A1MYD88RECQL
SCHEMBL426453 0.91 KMO (0.55) KMOMAPTALDH1A1MYD88RECQL
SCHEMBL10183378 0.85 KMO (0.63) KMOMAPTALDH1A1RECQLRAB9A
SCHEMBL10182167 0.85 KMO (0.63) KMOMAPTALDH1A1RECQLRAB9A
SCHEMBL10148140 0.85 KMO (0.49) KMOMAPTALDH1A1STAT1MYD88
SCHEMBL424264 0.84 KMO (0.62) KMOMAPTALDH1A1RECQLRAB9A
SCHEMBL426666 0.83 KMO (0.60) KMOMAPTALDH1A1RECQLRAB9A
SCHEMBL422806 0.83 KMO (0.60) KMOMAPTALDH1A1RECQLRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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 1/4885MAPT 898/4885ALDH1A1 843/4885
US-20080070905-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 KMO 1/4885MAPT 898/4885ALDH1A1 843/4885

“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.