SCHEMBL3534503

SCHEMBL3534503

Nc1c(CS(=O)(=O)c2cccc3ccccc23)cccc1OCCCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.40
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
HTR6 P50406 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CASP1 P29466 1/20 0.37
BCHE P06276 1/20 0.36
KCNA3 P22001 1/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
HTR1D P28221 1/20 0.35
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL3535404 0.95 HTR1B (0.42) HTR1BCA2CA1CA9HTR6
SCHEMBL3531354 0.85 CA1 (0.35) HTR1BCA2CA1CA9HTR6
SCHEMBL3531590 0.84 HTR6 (0.39) CA2CA1CA9HTR6MEN1
SCHEMBL3534295 0.83 HTR1B (0.40) HTR1BCA2CA1CA9HTR6
SCHEMBL4837581 0.82 CA2 (0.38) CA2CA1CA9HTR6MEN1
SCHEMBL5014728 0.82 F2 (0.35) HTR1BCA2CA1CA9HTR6
SCHEMBL3529003 0.82 CYP19A1 (0.38) HTR1BHTR6MEN1KMT2ACASP1
SCHEMBL3531552 0.81 CYP1A2 (0.36) HTR6MEN1KMT2ABCHEHPGD
SCHEMBL3533435 0.79 HTR6 (0.38) CA2CA1CA9HTR6F2
SCHEMBL5013073 0.79 HTR6 (0.43) HTR6MEN1KMT2A

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 6/4885CA2 4471/4885CA1 3744/4885

“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.