SCHEMBL634252

SCHEMBL634252

COc1ccc(S(=O)(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.62
POLB P06746 2/20 0.50
PLAU P00749 1/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.45
GRK6 P43250 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL634450 0.85 KMO (0.56) KMOLMNAMAPTGRK6ALDH1A1
SCHEMBL633487 0.83 KMO (0.66) KMOPOLBPLAULMNAL3MBTL1
SCHEMBL10119713 0.81 KMO (0.60) KMOPOLBPLAULMNAL3MBTL1
SCHEMBL633335 0.80 KMO (0.65) KMOPOLBPLAULMNAMAPT
SCHEMBL633155 0.79 KMO (0.71) KMOPOLBPLAUABCG2ALDH1A1
SCHEMBL29379527 0.77 KMO (1.00) KMOPOLBLMNAMAPT
SCHEMBL424256 0.77 KMO (1.00) KMOPOLBLMNAMAPT
SCHEMBL17146455 0.76 KMO (0.82) KMOPOLBPLAUMAPTHPGD
SCHEMBL633393 0.76 KMO (0.72) KMOPOLBPLAUHPGDALDH1A1
SCHEMBL429355 0.75 KMO (1.00) KMOPOLBPLAUMAPTHPGD

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-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 1/4885POLB 2514/4885PLAU 1828/4885
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 KMO 1/4885POLB 2514/4885PLAU 1828/4885

“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.