SCHEMBL4087197

SCHEMBL4087197

O=S(=O)(c1c(Cl)nc2sccn12)n1ncc2c(OCCN3CCCCC3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.46
MET P08581 6/20 0.44
HTR2C P28335 2/20 0.42
HTR7 P34969 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
HTR2B P41595 1/20 0.42
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
S1PR1 P21453 1/20 0.40
C5AR1 P21730 1/20 0.40
SLC6A2 P23975 1/20 0.40
FPR3 P25089 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
GPR183 P32249 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL4084560 0.79 RAB9A (0.47) HTR6HTR7HTR2AHRH3TSHR
SCHEMBL4075300 0.77 HTR7 (0.45) HTR6HTR7SIGMAR1TSHR
SCHEMBL5753820 0.77 HTR6 (0.55) HTR6HTR7HTR2AHRH1HRH3
SCHEMBL4082363 0.76 TSHR (0.44) HTR6HTR2CHTR7HTR2BHTR2A
SCHEMBL5756326 0.75 HTR6 (0.46) HTR6HTR7HRH3TSHR
SCHEMBL4082426 0.74 HTR6 (0.46) HTR6HTR7HTR2AHRH3TSHR
SCHEMBL4081092 0.74 HTR6 (0.55) HTR6METHTR2CHTR7CYP3A4
SCHEMBL4076472 0.72 ALDH1A1 (0.47) HTR6HRH3TSHR
SCHEMBL5738773 0.72 HTR6 (0.74) HTR6METHTR2CHTR7CYP3A4
SCHEMBL4082858 0.71 HTR6 (0.45) HTR6HTR2CHTR7HTR2BHTR1D

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 1/4885MET 1205/4885HTR2C 7/4885
US-20080027055-A1 1-Aryl-or 1-alkylsulfonnylbenzazole derivatives as 5-hydoxytryptamine-6 ligands HTR6, HTR1B, HTR3B HTR6 1/4885MET 1124/4885HTR2C 7/4885
US-20050009819-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1B, HTR1A HTR6 1/4885MET 1205/4885HTR2C 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.