SCHEMBL4073969

SCHEMBL4073969

O=S(=O)(c1cccs1)c1cn(CC2CCNCC2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.47
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
FEN1 P39748 1/20 0.36
CNR1 P21554 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL4069627 0.88 HTR6 (0.52) HTR6
SCHEMBL4075076 0.85 HTR6 (0.65) HTR6
Hydrochloric Acid SCHEMBL4068380 0.84 HTR6 (0.63) HTR6
SCHEMBL4075106 0.82 HTR6 (0.41) HTR6KMT2A
SCHEMBL4068976 0.79 HTR6 (0.57) HTR6POLB
SCHEMBL4071843 0.79 HTR6 (0.63) HTR6
SCHEMBL4076420 0.77 HTR6 (0.40) HTR6MEN1ALDH1A1POLBTSHR
SCHEMBL4069160 0.76 HTR6 (0.48) HTR6
SCHEMBL5783671 0.76 HTR6 (0.70) HTR6
SCHEMBL4074464 0.73 HTR6 (0.58) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589108-B2 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-15 US disclosed
US-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-09 US disclosed
US-6995176-B2 1-heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-07 US disclosed
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 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-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR5A HTR6 1/4885MEN1 2217/4885ALDH1A1 819/4885
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR1A HTR6 1/4885MEN1 2117/4885ALDH1A1 894/4885

“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.