SCHEMBL3535404

SCHEMBL3535404

Nc1c(CS(=O)(=O)c2cccc3ccccc23)cccc1OCCCCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KCNA3 P22001 1/20 0.38
HTR6 P50406 3/20 0.37
CASP1 P29466 1/20 0.37
SLC6A4 P31645 2/20 0.36
HRH1 P35367 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BCHE P06276 1/20 0.36
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3534503 0.95 HTR1B (0.40) HTR1BCA1CA2CA9KCNA3
SCHEMBL4837581 0.82 CA2 (0.38) CA1CA2CA9HTR6CASP1
SCHEMBL3533897 0.82 CYP19A1 (0.38) HTR1BKCNA3HTR6CASP1SLC6A4
SCHEMBL3531354 0.81 CA1 (0.35) HTR1BCA1CA2CA9HTR6
SCHEMBL3531590 0.79 HTR6 (0.39) CA1CA2CA9HTR6KDM4E
SCHEMBL3534295 0.79 HTR1B (0.40) HTR1BCA1CA2CA9KCNA3
SCHEMBL5014728 0.78 F2 (0.35) HTR1BCA1CA2CA9KCNA3
SCHEMBL3529003 0.77 CYP19A1 (0.38) HTR1BHTR6CASP1BCHEALDH1A1
SCHEMBL3531552 0.76 CYP1A2 (0.36) HTR6TDP1BCHECYP1A2CYP2C19
SCHEMBL3532950 0.76 HTR6 (0.40) CA1CA2CA9KCNA3HTR6

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-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 HTR1B 6/4885CA1 3744/4885CA2 4471/4885

“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.