SCHEMBL4082858

SCHEMBL4082858

Cc1c(S(=O)(=O)n2ncc3c(OCCN4CCCCC4)cccc32)sc2ccc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.45
HRH3 Q9Y5N1 1/20 0.40
PFKFB3 Q16875 1/20 0.39
PFKFB4 Q16877 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
DRD2 P14416 1/20 0.38
HTR1E P28566 1/20 0.38
HTR1F P30939 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
HTR4 Q13639 1/20 0.38

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
SCHEMBL4075335 0.85 HTR6 (0.58) HTR6HRH3
SCHEMBL4082363 0.79 TSHR (0.44) HTR6HRH3HTR2AHTR2CHTR7
SCHEMBL4075300 0.79 HTR7 (0.45) HTR6HTR1ADRD2HTR7
SCHEMBL5753820 0.78 HTR6 (0.55) HTR6HRH3HTR2ADRD2HTR7
SCHEMBL5756326 0.76 HTR6 (0.46) HTR6HRH3HTR1ADRD2HTR7
SCHEMBL4082426 0.75 HTR6 (0.46) HTR6HRH3HTR2AHTR1AHTR7
SCHEMBL4084560 0.75 RAB9A (0.47) HTR6HRH3HTR2AHTR1ADRD2
SCHEMBL4075321 0.74 HTR6 (0.51) HTR6HRH3
SCHEMBL4076472 0.73 ALDH1A1 (0.47) HTR6HRH3
SCHEMBL4087197 0.71 HTR6 (0.46) HTR6HRH3HTR2AHTR2CHTR1D

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-20090239863-A1 1-ARYL-OR 1- ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-09-24 US claimed
US-7271180-B2 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-09-18 US claimed
US-20050009819-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-13 US claimed
US-20090239863-A1 1-ARYL-OR 1- ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-09-24 US disclosed
US-7541358-B2 1-Substituted indoles, benzimidazoles additionally substituted with an amino ligand, e.g., 1-[(5-chlorothien-2-yl)sulfonyl]-5-[2-(piperidin-1-yl)ethoxy]-1H-indole; treating schizophrenia, depression, attention deficit disorder, Alzheimer's disease and Parkinson's disease WYETH (US) 2009-06-02 US disclosed
US-20080027055-A1 1-Aryl-or 1-alkylsulfonnylbenzazole derivatives as 5-hydoxytryptamine-6 ligands WYETH (US) 2008-01-31 US disclosed
US-7271180-B2 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-09-18 US disclosed
US-20050009819-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-13 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 (3 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-20090239863-A1 1-ARYL-OR 1- ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR1B, HTR1A HTR6 1/4885HRH3 193/4885PFKFB3 2264/4885
US-20080027055-A1 1-Aryl-or 1-alkylsulfonnylbenzazole derivatives as 5-hydoxytryptamine-6 ligands HTR6, HTR1B, HTR3B HTR6 1/4885HRH3 135/4885PFKFB3 2834/4885
US-20050009819-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1B, HTR1A HTR6 1/4885HRH3 193/4885PFKFB3 2264/4885

“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.