SCHEMBL3536020

SCHEMBL3536020

O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(OCCN3CCOCC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.49
PDGFRA P16234 1/20 0.49
HTR6 P50406 2/20 0.45
KDR P35968 2/20 0.44
FGFR1 P11362 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MAOA P21397 1/20 0.43
LTA4H P09960 1/20 0.43
PARP1 P09874 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
DRD2 P14416 1/20 0.42
MAPK14 Q16539 1/20 0.42
AURKA O14965 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
Hydrochloric Acid SCHEMBL3531157 0.99 PDGFRB (0.48) PDGFRBPDGFRAHTR6KDRFGFR1
SCHEMBL3534479 0.96 HTR6 (0.47) PDGFRBPDGFRAHTR6FGFR1SIGMAR1
SCHEMBL3532273 0.92 HTR6 (0.47) PDGFRBPDGFRAHTR6KDRFGFR1
SCHEMBL3531937 0.91 PDGFRB (0.47) PDGFRBPDGFRAHTR6KDRFGFR1
Hydrochloric Acid SCHEMBL3540594 0.91 HTR6 (0.47) PDGFRBPDGFRAHTR6KDRFGFR1
Hydrochloric Acid SCHEMBL3530919 0.90 HTR6 (0.47) PDGFRBPDGFRAHTR6KDRFGFR1
SCHEMBL3529257 0.87 FGFR1 (0.52) HTR6FGFR1DRD2
Hydrochloric Acid SCHEMBL3531367 0.86 FGFR1 (0.51) HTR6FGFR1DRD2
SCHEMBL3534238 0.86 HRH3 (0.51) HTR6FGFR1DRD2
SCHEMBL3531868 0.86 FGFR1 (0.51) HTR6FGFR1DRD2

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-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
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
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 PDGFRB 2128/4885PDGFRA 1779/4885HTR6 1/4885

“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.