Sugi Predict

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SCHEMBL3532484

SCHEMBL3532484

NCCCOc1cccc2c(S(=O)(=O)c3cccc4ccccc34)nn(Cc3cccc(Cl)c3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.44
▸ HTR2C P28335 3/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ HTR2B P41595 2/20 0.44
▸ HTR1B P28222 2/20 0.41
▸ SCN1A P35498 2/20 0.36
▸ SCN2A Q99250 2/20 0.36
▸ SCN3A Q9NY46 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NR1I2 O75469 1/20 0.35

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
SCHEMBL3529593 0.97 HTR6 (0.44) HTR6HTR2CDRD2HTR2BHTR1B
SCHEMBL3532795 0.96 HTR6 (0.45) HTR6HTR2CDRD2HTR2BHTR1B
SCHEMBL13342338 0.91 HTR6 (0.45) HTR6HTR2CDRD2HTR2BIDO1
Hydrochloric Acid SCHEMBL3531766 0.90 HTR6 (0.41) HTR6HTR2CDRD2HTR2BHTR1B
Hydrochloric Acid SCHEMBL3535685 0.89 HTR6 (0.42) HTR6HTR2CDRD2HTR2BHTR1B
SCHEMBL3539703 0.88 MAPT (0.41) HTR6HTR2CHTR1BKDM4EALDH1A1
SCHEMBL3531635 0.88 HTR6 (0.44) HTR6HTR2CDRD2HTR2BHTR1B
SCHEMBL3529596 0.88 HTR6 (0.44) HTR6HTR2CDRD2HTR2BIDO1
SCHEMBL3532480 0.88 HTR6 (0.45) HTR6HTR2CDRD2HTR2BHTR1B
Hydrochloric Acid SCHEMBL3535711 0.88 HTR6 (0.41) HTR6HTR2CDRD2HTR2BHTR1B

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 claimed
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-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 1/4885HTR2C 7/4885DRD2 117/4885

“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.