SCHEMBL4476828

SCHEMBL4476828

O=S(=O)(c1ccccc1)c1c[nH]c2nccc(N3CCN(Cc4ccccc4)CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
HTR6 P50406 5/20 0.49
ALK Q9UM73 1/20 0.46
MET P08581 1/20 0.46
DRD2 P14416 2/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
ROCK2 O75116 4/20 0.43
ROCK1 Q13464 4/20 0.43
CDC42BPB Q9Y5S2 4/20 0.43
ALDH1A1 P00352 1/20 0.42
TRPC5 Q9UL62 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4488667 0.85 HTR6 (0.57) HTR6METROCK2ROCK1CDC42BPB
SCHEMBL3723401 0.80 ALK (0.50) CA12CA1CA2CA9ALK
SCHEMBL3722723 0.78 ALDH1A1 (0.47) CA12CA1CA2CA9ALK
SCHEMBL4494237 0.76 DRD2 (0.48) CA12CA1CA2CA9HTR6
SCHEMBL3717638 0.76 ALK (0.47) CA12CA1CA2CA9ALK
SCHEMBL3725000 0.74 BCHE (0.48) ALKALDH1A1TSHR
SCHEMBL3721139 0.73 ALDH1A1 (0.43) CA12CA1CA2CA9ALK
SCHEMBL5879529 0.73 CA12 (0.49) CA12CA1CA2CA9HTR6
SCHEMBL4478910 0.72 HTR6 (0.44) CA12CA1CA2CA9HTR6
SCHEMBL3722051 0.72 MAPT (0.60) ALDH1A1MEN1TSHRMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 US claimed
US-20040167030-A1 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-08-26 US claimed
US-7576087-B2 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-08-18 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-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 CA12 4642/4885CA1 4038/4885CA2 4567/4885
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C CA12 4529/4885CA1 4136/4885CA2 4490/4885

“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.