SCHEMBL3673316

SCHEMBL3673316

O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccccc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.80
MEN1 O00255 5/20 0.79
KMT2A Q03164 5/20 0.79
POLB P06746 1/20 0.79
KMO O15229 1/20 0.73
CSNK2A1 P68400 2/20 0.68
MAPT P10636 3/20 0.67
ALDH1A1 P00352 2/20 0.67
GAA P10253 1/20 0.67
RAB9A P51151 1/20 0.67
MAOA P21397 2/20 0.66
KDM4E B2RXH2 1/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 1/20 0.60

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
SCHEMBL2762558 0.97 MEN1 (0.77) KDM1AMEN1KMT2APOLBKMO
SCHEMBL727088 0.91 KDM1A (0.74) KDM1AMEN1KMT2APOLBKMO
SCHEMBL728110 0.91 KDM1A (0.74) KDM1AMEN1KMT2APOLBKMO
SCHEMBL8355083 0.91 KDM1A (0.84) KDM1AMEN1KMT2APOLBKMO
SCHEMBL726743 0.90 KDM1A (0.70) KDM1AMEN1KMT2APOLBKMO
SCHEMBL8360638 0.88 KDM1A (0.73) KDM1AMEN1KMT2APOLBKMO
SCHEMBL726766 0.88 KMO (0.79) KDM1AMEN1KMT2APOLBKMO
SCHEMBL8359224 0.87 MEN1 (0.64) KDM1AMEN1KMT2APOLBKMO
SCHEMBL8359357 0.87 KDM1A (0.81) KDM1AMEN1KMT2APOLBKMO
SCHEMBL5966304 0.87 KDM1A (0.66) KDM1AMEN1KMT2APOLBKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2006-06-29 US claimed
EP-1581215-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GmbH (DE) 2005-10-05 EP claimed
EP-1581216-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GmbH (DE) 2005-10-05 EP claimed
WO-2004060368-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GMBH (DE) 2004-07-22 WO claimed
WO-2004060369-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2004-07-22 WO claimed
US-5877193-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-03-02 US claimed
US-7727977-B2 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-01 US disclosed
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2006-06-29 US disclosed
EP-1581215-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GmbH (DE) 2005-10-05 EP disclosed
EP-1581216-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GmbH (DE) 2005-10-05 EP disclosed
WO-2004060368-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GMBH (DE) 2004-07-22 WO disclosed
WO-2004060369-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2004-07-22 WO disclosed
US-5958910-A Use of N-(4-aryl-thiazol-2-yl)-sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
US-5877193-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-03-02 US disclosed
EP-0819681-A2 N-(4-Aryl-thiazol-2-yl)-sulfonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-21 EP 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 (1 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-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes KYNU, KMO, AADAT KDM1A 368/4885MEN1 3066/4885KMT2A 612/4885

“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.