SCHEMBL4084560

SCHEMBL4084560

O=S(=O)(c1cccs1)n1ncc2c(OCCN3CCCCC3)cccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
HTR6 P50406 8/20 0.41
HTR7 P34969 7/20 0.41
HTR1A P08908 5/20 0.41
DRD2 P14416 5/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
HTR2A P28223 2/20 0.39
TDP1 Q9NUW8 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
SCHEMBL4075300 0.85 HTR7 (0.45) HTR6HTR7HTR1ADRD2TSHR
SCHEMBL5753820 0.84 HTR6 (0.55) HTR6HTR7DRD2TSHRSMN1; SMN2
SCHEMBL4082363 0.83 TSHR (0.44) HTR6HTR7TSHRALDH1A1SMN1; SMN2
SCHEMBL5756326 0.82 HTR6 (0.46) HTR6HTR7HTR1ADRD2TSHR
SCHEMBL4082426 0.81 HTR6 (0.46) HTR6HTR7HTR1ATSHRHRH3
SCHEMBL4087197 0.79 HTR6 (0.46) HTR6HTR7TSHRHRH3HTR2A
SCHEMBL4076472 0.79 ALDH1A1 (0.47) HTR6TSHRALDH1A1SMN1; SMN2HRH3
SCHEMBL4457700 0.76 TSHR (0.41) HTR6HTR7DRD2TSHRHRH3
Hydrochloric Acid SCHEMBL5791114 0.76 LTA4H (0.41) HTR6HTR7MMP1MMP9MMP13
SCHEMBL13708115 0.75 TDP1 (0.52) HTR6HTR7DRD2TSHRSMN1; 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 7 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-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 RAB9A 3921/4885HTR6 1/4885HTR7 10/4885
US-20080027055-A1 1-Aryl-or 1-alkylsulfonnylbenzazole derivatives as 5-hydoxytryptamine-6 ligands HTR6, HTR1B, HTR3B RAB9A 3154/4885HTR6 1/4885HTR7 11/4885
US-20050009819-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1B, HTR1A RAB9A 3921/4885HTR6 1/4885HTR7 10/4885

“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.