SCHEMBL3536066

SCHEMBL3536066

NCCc1cccc2c(S(=O)(=O)c3ccccc3)n[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
HTR6 P50406 13/20 0.43
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
HTR7 P34969 2/20 0.42
HTR1A P08908 1/20 0.42
HTR1F P30939 1/20 0.42
DRD3 P35462 1/20 0.42
AKR1B1 P15121 1/20 0.35
MPO P05164 2/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2A P28223 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR2C P28335 1/20 0.34
CTSK P43235 1/20 0.34
CYP2A13 Q16696 1/20 0.34

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
Hydrochloric Acid SCHEMBL3538337 0.99 SLC6A2 (0.46) SLC6A2HTR6HTR1DHTR1BHTR7
SCHEMBL3532382 0.87 HTR6 (0.38) SLC6A2HTR6AKR1B1HTR2A
SCHEMBL3532415 0.84 HTR2A (0.50) SLC6A2HTR6HTR1DHTR1BHTR7
SCHEMBL3533653 0.84 HTR2A (0.51) SLC6A2HTR6HTR1AHTR2ATAAR1
Hydrochloric Acid SCHEMBL3530170 0.83 HTR2A (0.49) SLC6A2HTR6HTR1DHTR1BHTR7
SCHEMBL3533773 0.80 SLC6A2 (0.49) SLC6A2HTR6HTR2A
Hydrochloric Acid SCHEMBL3536330 0.79 SLC6A2 (0.48) SLC6A2HTR6HTR2A
SCHEMBL3533205 0.79 HTR1B (0.43) HTR6HTR1BAKR1B1TAAR1LTA4H
SCHEMBL3531146 0.77 KMT2A (0.36) AKR1B1
Trifluoroacetic Acid SCHEMBL3536574 0.77 HTR2A (0.44) SLC6A2HTR6HTR1AHTR2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
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 disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO 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
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 SLC6A2 47/4885HTR6 1/4885HTR1D 12/4885

“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.