SCHEMBL3529159

SCHEMBL3529159

Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cccc(OCCN)c21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.48
HTR6 P50406 15/20 0.45
HTR2B P41595 2/20 0.44
HTR2C P28335 2/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR1D P28221 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.41
MAOA P21397 1/20 0.38
LOX P28300 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL3535014 0.89 HTR6 (0.45) HTR1BHTR6HTR2BHTR2CHTR1A
SCHEMBL3532652 0.87 HTR1B (0.52) HTR1BHTR6HTR2BHTR2CHTR1A
SCHEMBL3538879 0.85 HTR1B (0.47) HTR1BHTR6HTR2BHTR2CHTR1A
SCHEMBL3534202 0.85 TDP1 (0.48) HTR1BHTR6HTR2BHTR2CHTR1A
SCHEMBL3536099 0.85 HTR1B (0.54) HTR1BHTR6HTR2BHTR2CHTR1A
SCHEMBL3538306 0.85 HTR6 (0.48) HTR1BHTR6HTR2BHTR2CHTR1A
SCHEMBL3531698 0.83 HTR1B (0.47) HTR1BHTR6HTR2BHTR2CHTR1A
SCHEMBL8233554 0.81 HTR6 (0.43) HTR1BHTR6HTR2BHTR2CDRD2
SCHEMBL3531502 0.79 HASPIN (0.39) HTR1BHTR6
SCHEMBL3532795 0.79 HTR6 (0.45) HTR1BHTR6HTR2BHTR2CDRD2

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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US claimed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP claimed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO claimed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 US claimed
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A HTR1B 6/4885HTR6 1/4885HTR2B 22/4885

“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.