SCHEMBL634450

SCHEMBL634450

Cc1ccc(S(=O)(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.56
LMNA P02545 4/20 0.54
MAPT P10636 2/20 0.54
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GRK6 P43250 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HSP90AA1 P07900 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
PIK3CD O00329 1/20 0.44
MTOR P42345 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
SCHEMBL634252 0.85 KMO (0.62) KMOLMNAMAPTALDH1A1GRK6
SCHEMBL633289 0.80 KMO (0.56) KMOLMNAMAPTCYP1A2CYP3A4
SCHEMBL10119710 0.79 KMO (0.57) KMOLMNAMAPTCYP1A2CYP3A4
SCHEMBL633417 0.76 KMO (0.64) KMOLMNACYP1A2CYP3A4CYP2C19
SCHEMBL18077366 0.74 HTT (0.52) LMNAMAPTALDH1A1KDM4E
SCHEMBL728110 0.74 KDM1A (0.74) KMOMAPTKDM4E
SCHEMBL633394 0.73 KMO (0.70) KMOLMNA
SCHEMBL27927882 0.73 POLB (0.63) KMOLMNAMAPTCYP1A2CYP3A4
SCHEMBL18526802 0.72 MAPT (0.72) LMNAMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL17279705 0.70 MAPT (0.77) LMNAMAPTALDH1A1GRK6

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 1/4885LMNA 4391/4885MAPT 680/4885
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 KMO 1/4885LMNA 4391/4885MAPT 680/4885

“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.