SCHEMBL4476290

SCHEMBL4476290

O=[N+]([O-])c1ccc(Cl)nc1CS(=O)(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 7/20 0.60
GSR P00390 3/20 0.60
MAPT P10636 5/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
KIF18A Q8NI77 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
ATM Q13315 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 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
SCHEMBL14463077 0.81 HTT (0.43) TXNRD1GSRMAPTKMT2AMEN1
SCHEMBL3887497 0.80 S1PR4 (0.63) TXNRD1MAPTNPSR1S1PR4S1PR1
SCHEMBL7858390 0.80 TXNRD1 (0.51) TXNRD1GSRMAPTHTTPOLB
SCHEMBL10514409 0.77 TXNRD1 (0.58) TXNRD1GSRMAPTKMT2AMEN1
SCHEMBL18497228 0.75 TXNRD1 (0.67) TXNRD1GSRMAPTKMT2AMEN1
SCHEMBL22280581 0.75 TXNRD1 (1.00) TXNRD1GSRALDH1A1MAPK1HPGD
SCHEMBL4481233 0.75 L3MBTL1 (0.52) TXNRD1GSRMAPTKMT2AMEN1
SCHEMBL4477820 0.74 LMNA (0.44) MAPTHTTPOLBALDH1A1MAPK1
SCHEMBL29023888 0.73 CRHBP (0.56) TXNRD1GSRMAPTKMT2AMEN1
SCHEMBL4481965 0.73 KMT2A (0.52) TXNRD1GSRMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576087-B2 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-08-18 US disclosed
US-7576087-B2 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-08-18 US disclosed
US-7576087-B2 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-08-18 US disclosed
CN-100482662-C Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2009-04-29 CN disclosed
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-01-17 US disclosed
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-01-17 US disclosed
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-01-17 US disclosed
US-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 US disclosed
US-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 US disclosed
US-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 US disclosed
CN-1777602-A Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2006-05-24 CN disclosed
EP-1592690-A1 HETEROCYCLYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2005-11-09 EP disclosed
WO-2004074286-A1 HETEROCYCLYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2004-09-02 WO disclosed
US-20040167030-A1 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-08-26 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 (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-20040167030-A1 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C TXNRD1 2301/4885GSR 2234/4885MAPT 2456/4885
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C TXNRD1 2533/4885GSR 2151/4885MAPT 2305/4885

“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.