SCHEMBL3531978

SCHEMBL3531978

O=S(=O)(c1ccccc1)c1n[nH]c2ccc(CCCCO)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
P2RY12 Q9H244 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TTK P33981 7/20 0.39
NAMPT P43490 1/20 0.38
BCHE P06276 1/20 0.36
HTR6 P50406 2/20 0.35
HAO1 Q9UJM8 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR1B P28222 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
SCHEMBL3529918 0.96 TTK (0.39) CA2PDE3BPDE3AP2RY12MAOA
SCHEMBL3532214 0.88 HTR6 (0.43) MAOAMAOBTTKHTR6HTR1A
Hydrochloric Acid SCHEMBL3530580 0.87 HTR6 (0.42) MAOAMAOBTTKHTR6HTR1A
SCHEMBL3532498 0.87 HTR6 (0.44) MAOAMAOBTTKHTR6AURKA
SCHEMBL4636341 0.84 HTR6 (0.52) CA2MAOAMAOBTTKHTR6
SCHEMBL3533331 0.84 SIGMAR1 (0.40) MAOAMAOBTTKHTR6SLC6A2
SCHEMBL14610158 0.83 MAOA (0.39) MAOAMAOBTTKNAMPTHTR6
SCHEMBL3530149 0.83 HTR6 (0.44) PDE3BPDE3AP2RY12HTR6
SCHEMBL14610224 0.82 MAOA (0.37) MAOAMAOBTTKNAMPTHTR6
Trifluoroacetic Acid SCHEMBL3535178 0.82 TTK (0.39) CA2TTKHTR6HAO1HRH3

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 9 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
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
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 CA2 4471/4885PDE3B 949/4885PDE3A 627/4885

“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.