SCHEMBL4081092

SCHEMBL4081092

O=S(=O)(c1c(Cl)nc2sccn12)n1ccc2cc(OCCN3CCCCC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.55
HDAC1 Q13547 4/20 0.51
HDAC3 O15379 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
NCOR2 Q9Y618 2/20 0.51
MET P08581 7/20 0.50
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4086941 0.77 HDAC1 (0.54) HTR6HDAC1HDAC3HDAC2HDAC6
SCHEMBL4076367 0.77 HDAC1 (0.53) HTR6HDAC1HDAC3HDAC2HDAC6
SCHEMBL4087197 0.74 HTR6 (0.46) HTR6METCYP3A4CYP2A6HTR2C
SCHEMBL4075321 0.71 HTR6 (0.51) HTR6HDAC1HDAC3HDAC2HDAC6
SCHEMBL3210064 0.71 MET (0.57) HTR6METCYP3A4CYP2A6HTR2C
SCHEMBL3623245 0.70 HTR6 (0.58) HTR6METCYP3A4CYP2A6HTR2C
SCHEMBL4040224 0.70 HTR6 (1.00) HTR6HTR2C
SCHEMBL3349440 0.70 HTR6 (1.00) HTR6HTR2C
SCHEMBL31159516 0.69 HDAC1 (0.76) HTR6HDAC1HDAC3HDAC2HDAC6
SCHEMBL31159462 0.69 HDAC1 (0.81) HTR6HDAC1HDAC3HDAC2HDAC6

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 9 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-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 claimed
US-20080027055-A1 1-Aryl-or 1-alkylsulfonnylbenzazole derivatives as 5-hydoxytryptamine-6 ligands WYETH (US) 2008-01-31 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 1/4885HDAC1 904/4885HDAC3 790/4885
US-20080027055-A1 1-Aryl-or 1-alkylsulfonnylbenzazole derivatives as 5-hydoxytryptamine-6 ligands HTR6, HTR1B, HTR3B HTR6 1/4885HDAC1 950/4885HDAC3 773/4885
US-20050009819-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1B, HTR1A HTR6 1/4885HDAC1 904/4885HDAC3 790/4885

“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.