SCHEMBL4076472

SCHEMBL4076472

O=[N+]([O-])c1ccc(S(=O)(=O)n2ncc3c(OCCN4CCCCC4)cccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LTA4H P09960 3/20 0.47
PTGS2 P35354 3/20 0.47
PTGS1 P23219 2/20 0.47
HTR6 P50406 5/20 0.43
HRH3 Q9Y5N1 3/20 0.42
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 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
SCHEMBL5756326 0.88 HTR6 (0.46) LTA4HHTR6HRH3KCNH2TSHR
SCHEMBL5753820 0.88 HTR6 (0.55) KDM4ETDP1LTA4HHTR6HRH3
SCHEMBL4082426 0.87 HTR6 (0.46) TDP1LTA4HPTGS2PTGS1HTR6
SCHEMBL4084560 0.79 RAB9A (0.47) ALDH1A1TDP1HTR6HRH3SMN1; SMN2
SCHEMBL4075300 0.77 HTR7 (0.45) HTR6GAATSHR
SCHEMBL4082363 0.76 TSHR (0.44) ALDH1A1LTA4HHTR6HRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL5791114 0.74 LTA4H (0.41) ALDH1A1TDP1LTA4HHTR6HRH3
SCHEMBL13708115 0.73 TDP1 (0.52) TDP1HTR6HRH3SMN1; SMN2TSHR
SCHEMBL4082858 0.73 HTR6 (0.45) HTR6HRH3
SCHEMBL13812922 0.73 TSHR (0.50) KDM4ETDP1HTR6HRH3SMN1; SMN2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353904-B9 1-ARYL-OR 1-ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2006-05-03 EP claimed
EP-1353904-B1 1-ARYL-OR 1-ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2005-12-07 EP claimed
US-20040092564-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-05-13 US claimed
US-20040087637-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-05-06 US claimed
EP-1353904-A1 1-ARYL-OR 1-ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-10-22 EP claimed
US-20030149018-A1 1-aryl- or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-08-07 US claimed
US-6509357-B1 Use there of for the therapeutic treatment of disorders relating to or affected by the 5-HT6 receptor. Various central nervous system disorders such as anxiety, depression, motor disorders, etc., are believed to involve a disturbance of the WYETH 2003-01-21 US claimed
WO-2002059088-A1 1-ARYL-OR 1-ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-08-01 WO claimed
US-20090239863-A1 1-ARYL-OR 1- ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-09-24 US disclosed
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-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-20080027055-A1 1-Aryl-or 1-alkylsulfonnylbenzazole derivatives as 5-hydoxytryptamine-6 ligands WYETH (US) 2008-01-31 US disclosed
US-20050009819-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-13 US disclosed
US-20040092564-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-05-13 US disclosed
US-20040087637-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-05-06 US disclosed
US-6710069-B2 FOR THERAPY OF CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-03-23 US disclosed
US-20030149018-A1 1-aryl- or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-08-07 US disclosed
US-6509357-B1 Use there of for the therapeutic treatment of disorders relating to or affected by the 5-HT6 receptor. Various central nervous system disorders such as anxiety, depression, motor disorders, etc., are believed to involve a disturbance of the WYETH 2003-01-21 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 (6 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 ALDH1A1 468/4885KDM4E 3102/4885TDP1 2386/4885
US-20030149018-A1 1-aryl- or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1B, HTR1A ALDH1A1 415/4885KDM4E 3297/4885TDP1 2146/4885
US-20040087637-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1B, HTR1A ALDH1A1 415/4885KDM4E 3297/4885TDP1 2146/4885
US-20080027055-A1 1-Aryl-or 1-alkylsulfonnylbenzazole derivatives as 5-hydoxytryptamine-6 ligands HTR6, HTR1B, HTR3B ALDH1A1 569/4885KDM4E 3410/4885TDP1 2325/4885
US-20040092564-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1B, HTR1A ALDH1A1 415/4885KDM4E 3297/4885TDP1 2146/4885
US-20050009819-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1B, HTR1A ALDH1A1 468/4885KDM4E 3102/4885TDP1 2386/4885

“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.