Sugi Predict

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SCHEMBL8242000

SCHEMBL8242000

CC(N)C(=O)Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.49
▸ HTR2B P41595 4/20 0.49
▸ HTR2C P28335 2/20 0.49
▸ TTK P33981 4/20 0.46
▸ HTR1A P08908 2/20 0.45
▸ HTR1D P28221 2/20 0.45
▸ PLK4 O00444 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2E1 P05181 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP4B1 P13584 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ CYP3A5 P20815 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
SCHEMBL3531731 0.84 HTR6 (0.42) HTR6HTR2BHTR2CTTKHTR1A
SCHEMBL8239690 0.83 HTR6 (0.71) HTR6HTR2BHTR2C
SCHEMBL4668608 0.83 HTR6 (0.71) HTR6HTR2BHTR2CTTKAURKA
Hydrochloric Acid SCHEMBL3539148 0.82 HTR6 (0.71) HTR6HTR2BHTR2C
Hydrochloric Acid SCHEMBL3533553 0.82 HTR6 (0.71) HTR6HTR2BHTR2CTTKHTR1A
SCHEMBL4778335 0.82 HTR6 (0.72) HTR6HTR2BHTR2C
Hydrochloric Acid SCHEMBL3539756 0.81 HTR6 (0.72) HTR6HTR2BHTR2C
Hydrochloric Acid SCHEMBL3539751 0.81 HTR6 (0.72) HTR6HTR2BHTR2C
SCHEMBL3552069 0.79 HTR6 (0.72) HTR6HTR2BHTR1AHTR1D
SCHEMBL4668607 0.78 HTR6 (0.54) HTR6HTR2BHTR2CAURKAAURKB

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 5 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
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

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 HTR6 1/4885HTR2B 22/4885HTR2C 7/4885

“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.