SCHEMBL4082363

SCHEMBL4082363

O=S(=O)(c1cc(Cl)c(Cl)s1)n1ncc2c(OCCN3CCCCC3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
BCHE P06276 3/20 0.38
ACHE P22303 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
HTR6 P50406 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL4075300 0.87 HTR7 (0.45) TSHRHTR6HTR7
SCHEMBL4084560 0.83 RAB9A (0.47) TSHRHTR2AALDH1A1SMN1; SMN2HRH3
SCHEMBL5753820 0.81 HTR6 (0.55) TSHRHTR2ASMN1; SMN2LTA4HHRH3
SCHEMBL5756326 0.79 HTR6 (0.46) TSHRLTA4HHRH3HTR6HTR7
SCHEMBL4082858 0.79 HTR6 (0.45) HTR2AHTR2CHTR2BHRH3HTR6
SCHEMBL4082426 0.78 HTR6 (0.46) TSHRHTR2ALTA4HNOS3NOS1
SCHEMBL4087197 0.76 HTR6 (0.46) TSHRHTR2AHTR2CHTR2BHRH3
SCHEMBL4076472 0.76 ALDH1A1 (0.47) TSHRALDH1A1SMN1; SMN2LTA4HHRH3
Hydrochloric Acid SCHEMBL5791114 0.73 LTA4H (0.41) TSHRHTR2AALDH1A1LTA4HHRH3
SCHEMBL13708115 0.72 TDP1 (0.52) TSHRHTR2ASMN1; SMN2NOS3NOS1

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 TSHR 265/4885HTR2A 11/4885HTR2C 7/4885
US-20080027055-A1 1-Aryl-or 1-alkylsulfonnylbenzazole derivatives as 5-hydoxytryptamine-6 ligands HTR6, HTR1B, HTR3B TSHR 237/4885HTR2A 14/4885HTR2C 7/4885
US-20050009819-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1B, HTR1A TSHR 265/4885HTR2A 11/4885HTR2C 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.