SCHEMBL726743

SCHEMBL726743

O=S(=O)(O)c1ccc2ccccc2c1.O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccccc3)n2)c1

nearest known ligand 0.81

Known targets — ChEMBL curated mechanism

OPRM1

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.70
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
POLB P06746 1/20 0.65
KMO O15229 1/20 0.61
MAOA P21397 3/20 0.58
CSNK2A1 P68400 2/20 0.57
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 1/20 0.56
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL3673316 0.90 KDM1A (0.80) KDM1AMEN1KMT2APOLBKMO
SCHEMBL2762558 0.87 MEN1 (0.77) KDM1AMEN1KMT2APOLBKMO
SCHEMBL8355083 0.82 KDM1A (0.84) KDM1AMEN1KMT2APOLBKMO
SCHEMBL728110 0.82 KDM1A (0.74) KDM1AMEN1KMT2APOLBKMO
SCHEMBL727088 0.82 KDM1A (0.74) KDM1AMEN1KMT2APOLBKMO
SCHEMBL726766 0.82 KMO (0.79) KDM1AMEN1KMT2APOLBKMO
SCHEMBL8360638 0.82 KDM1A (0.73) KDM1AMEN1KMT2APOLBKMO
SCHEMBL8359224 0.81 MEN1 (0.64) KDM1AMEN1KMT2APOLBKMO
SCHEMBL23553637 0.81 CSNK2A1 (0.72) KDM1AMEN1KMT2AKMOMAOA
SCHEMBL8599916 0.79 KDM1A (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4813800-B2 2011-11-09 JP claimed
US-5958910-A Use of N-(4-aryl-thiazol-2-yl)-sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US claimed
US-20060052456-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes by increasing the number of islets of langerhans cells MERCK PATENT GMBH (DE) 2006-03-09 US 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

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-20060052456-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes by increasing the number of islets of langerhans cells KYNU, KMO, IDO1 KDM1A 190/4885MEN1 2965/4885KMT2A 270/4885

“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.