SCHEMBL3532479

SCHEMBL3532479

O=S(=O)(c1ccccc1)n1ncc2cc(OCCN3CCCC3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.49
LTA4H P09960 6/20 0.49
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
BACE1 P56817 1/20 0.46
KCNH2 Q12809 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL3535866 0.99 HRH3 (0.51) HRH3LTA4HADORA2AADORA1BACE1
SCHEMBL3530148 0.91 FGFR1 (0.52) LTA4HADORA2AADORA1
SCHEMBL3535203 0.83 FGFR1 (0.44) LTA4H
SCHEMBL3536803 0.81 KDM4E (0.50) LTA4HADORA2AADORA1KCNH2
SCHEMBL3532185 0.81 HTR6 (0.45)
SCHEMBL3535760 0.80 HDAC3 (0.39) HRH3
SCHEMBL3533173 0.80 OPRD1 (0.39)
SCHEMBL3534825 0.79 MAOB (0.43)
SCHEMBL3533707 0.79 HTR6 (0.40)
SCHEMBL3534708 0.79 HTR6 (0.45) LTA4HADORA2AADORA1KCNH2

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 HRH3 534/4885LTA4H 1818/4885ADORA2A 98/4885

“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.