SCHEMBL4481965

SCHEMBL4481965

O=[N+]([O-])c1cnc(Cl)cc1CS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.52
MEN1 O00255 7/20 0.52
MAPT P10636 4/20 0.52
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 2/20 0.48
ATM Q13315 1/20 0.47
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.46
GSR P00390 1/20 0.45
TXNRD1 Q16881 1/20 0.45
KIF18A Q8NI77 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.41
PIN1 Q13526 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
SCHEMBL6274754 0.77 AGTR1 (0.48) KMT2AMEN1MAPTPOLBHTT
SCHEMBL4068758 0.75 HTT (0.58) KMT2AMEN1MAPTPOLBHTT
SCHEMBL14618673 0.74 HTT (0.51) KMT2AMEN1MAPTPOLBHTT
SCHEMBL3535128 0.74 HTT (0.60) KMT2AMEN1MAPTPOLBHTT
SCHEMBL3531624 0.74 HTT (0.60) KMT2AMEN1MAPTPOLBHTT
SCHEMBL15881241 0.74 SMN1; SMN2 (0.41) MAPTPOLBHTTALDH1A1GAA
SCHEMBL4476290 0.73 TXNRD1 (0.60) KMT2AMEN1MAPTPOLBHTT
SCHEMBL14780384 0.73 KMT2A (0.60) KMT2AMEN1MAPTPOLBHTT
SCHEMBL5201891 0.72 HTT (0.43) KMT2AMEN1MAPTPOLBHTT
SCHEMBL15173489 0.72 PRKCQ (0.38) ALDH1A1PIN1

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 12 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
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 KMT2A 2109/4885MEN1 1536/4885MAPT 2456/4885
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C KMT2A 1928/4885MEN1 1718/4885MAPT 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.