SCHEMBL3529030

SCHEMBL3529030

O=S(=O)(CNc1ccc(F)cc1OCCCl)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.39
HTR7 P34969 10/20 0.39
ADRA1D P25100 6/20 0.36
ADRA1A P35348 4/20 0.36
ADRA1B P35368 4/20 0.36
DRD2 P14416 3/20 0.36
HTR6 P50406 3/20 0.36
HTR2A P28223 2/20 0.36
HSD11B1 P28845 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
NSD2 O96028 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
SCHEMBL3531555 0.87 HTR1A (0.39) HTR1AHTR7
SCHEMBL3529027 0.71 PSEN1 (0.39) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL3532416 0.68 HTT (0.40) HSD11B1
SCHEMBL3531552 0.64 CYP1A2 (0.36) HTR1AHTR7HTR6
SCHEMBL6848695 0.63 KDM4E (0.54) HTR7
SCHEMBL11640359 0.62 PTGDR2 (0.49) DRD2
SCHEMBL9632875 0.62 L3MBTL1 (0.46) HTR1A
SCHEMBL7482184 0.62 FFAR1 (0.47) HTR1AHTR2A
SCHEMBL2616457 0.62 CA2 (0.59) HTR6HSD11B1
SCHEMBL5824853 0.62 L3MBTL1 (0.58)

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 HTR1A 3/4885HTR7 17/4885ADRA1D 161/4885

“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.