SCHEMBL3535823

SCHEMBL3535823

CNCCOc1cccc2c(S(=O)(=O)c3ccccc3)nn(C)c12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.50
HTR1B P28222 3/20 0.46
HTR1D P28221 2/20 0.46
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SLC6A4 P31645 2/20 0.42
HRH1 P35367 2/20 0.42
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR3A P46098 1/20 0.38
BCHE P06276 1/20 0.37

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
SCHEMBL3531498 0.89 HTR1B (0.48) HTR6HTR1BGLRA3GLRBBCHE
SCHEMBL3531502 0.84 HASPIN (0.39) HTR6HTR1BTDP1
SCHEMBL3528627 0.83 TDP1 (0.47) HTR6HRH1KDM4EGAATDP1
SCHEMBL3531503 0.83 ABCB1 (0.36) HTR6HTR3A
SCHEMBL3531571 0.83 HTR6 (0.42) HTR6HTR1BHTR1DKDM4EALDH1A1
SCHEMBL3539699 0.80 HTR6 (0.45) HTR6HTR1BHTR1DHDAC8HDAC6
SCHEMBL5242658 0.79 HTR6 (0.53) HTR6HTR1BHTR1DHDAC8HDAC6
Hydrochloric Acid SCHEMBL5241236 0.78 HTR6 (0.52) HTR6HTR1BHTR1DHDAC8HDAC6
SCHEMBL3535808 0.76 HTR6 (0.48) HTR6HTR1BHTR1DHDAC8HDAC6
SCHEMBL3536099 0.76 HTR1B (0.54) HTR6HTR1BHTR1DSLC6A4HRH1

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 8 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
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
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 HTR6 1/4885HTR1B 6/4885HTR1D 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.