SCHEMBL950414

SCHEMBL950414

O=Cc1cn(S(=O)(=O)c2ccccc2Br)c2ccc(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.57
ACLY P53396 1/20 0.45
KDM4E B2RXH2 1/20 0.44
UBE2N P61088 1/20 0.44
KLK7 P49862 1/20 0.44
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL949730 0.88 HTR6 (0.58) HTR6KDM4EUBE2NKLK7CYP3A4
SCHEMBL947498 0.84 KDM4E (0.60) HTR6KDM4EUBE2NKLK7CA2
SCHEMBL4773184 0.83 HTR6 (0.44) HTR6ACLYCYP3A4ADRA2ACYP2D6
SCHEMBL4772681 0.82 HTR6 (0.60) HTR6KDM4EUBE2NCYP3A4ADRA2A
SCHEMBL945672 0.82 KDM4E (0.58) HTR6KDM4EUBE2NCA2CA9
SCHEMBL947825 0.81 HTR6 (0.60) HTR6KDM4EUBE2NKLK7CA2
SCHEMBL946587 0.81 HTR6 (0.60) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL949233 0.80 KDM4E (0.52) HTR6ACLYKDM4EUBE2NKLK7
SCHEMBL948075 0.80 HTR6 (0.59) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL27636796 0.80 HTR6 (0.59) HTR6ACLYCYP3A4ADRA2ACYP2D6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1720225-B N-arylsulfonyl-3-substituted indoles having 5-hydroxytryptamine receptor affinity, process for their preparation and pharmaceutical compositions containing them SUVEN LIFE SCIENCES LTD 2011-05-18 CN disclosed
US-7875605-B2 1-Benzenesulfonyl-3-(4-methylpiperazin-1-ylmethyl)-5-nitro-1 H-indole; 1-[[5-Bromo-1-(2-Bromo-4-methoxybenzenesulfonyl)-indo1-3-yl]methyl][1,4]diazepane; useful for treating psychotic and neurodegenerative disorders e.g. schizophrenia, Alzheimer's disease, Parkinson's disease and Huntington's chorea SUVEN LIFE SCIENCES LIMITED (IN) 2011-01-25 US disclosed
CN-101544592-A N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LTD (IN) 2009-09-30 CN disclosed
EP-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 EP disclosed
CN-100378109-C Tetracyclic 3-substituted indoles having serotonin receptor affinity SUVEN LIFE SCIENCES LTD (IN) 2008-04-02 CN disclosed
EP-1581538-B1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY SUVEN LIFE SCIENCES LTD (IN) 2007-02-28 EP disclosed
US-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LIMITED (IN) 2006-10-05 US disclosed
CN-1729197-A Tetracyclic 3-substituted indoles having serotonin receptor affinity SUVEN LIFE SCIENCES LTD (IN) 2006-02-01 CN disclosed
CN-1720225-A N-arylsulfonyl-3-substituted indoles having 5-hydroxytryptamine receptor affinity, process for their preparation and pharmaceutical compositions containing them SUVEN LIFE SCIENCES LTD (IN) 2006-01-11 CN disclosed
EP-1581492-A1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM Suven Life Sciences Limited (IN) 2005-10-05 EP disclosed
WO-2004048330-A1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO 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 (1 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-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them HTR3A, HTR3C, HTR2C HTR6 12/4885ACLY 3588/4885KDM4E 3995/4885

“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.