SCHEMBL950268

SCHEMBL950268

O=S(=O)(c1ccc(Br)cc1)n1cc(CO)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.67
AKR1C1 Q04828 1/20 0.67
HTR6 P50406 17/20 0.65
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR1F P30939 1/20 0.53
HTR7 P34969 1/20 0.53
DRD3 P35462 1/20 0.53
ALK Q9UM73 1/20 0.52
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL946691 0.88 HTR6 (0.75) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL948613 0.87 HTR6 (0.63) AKR1C3AKR1C1HTR6HTR1ADRD2
SCHEMBL947464 0.87 HTR6 (0.56) AKR1C3AKR1C1HTR6
SCHEMBL13125610 0.87 HTR6 (0.79) AKR1C3AKR1C1HTR6HTR1ADRD2
SCHEMBL13125603 0.86 HTR6 (0.74) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL946516 0.86 HTR6 (0.74) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL13125601 0.86 HTR6 (0.63) AKR1C3AKR1C1HTR6HTR1ADRD2
SCHEMBL950565 0.86 HTR6 (0.74) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL946389 0.85 HTR6 (0.56) AKR1C3AKR1C1HTR6HTR1ADRD2
SCHEMBL950578 0.83 HTR6 (0.54) AKR1C3AKR1C1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101544592-B Process for preparation of N-arylsulfonyl-3-substituted indoles SUVEN LIFE SCIENCES LTD 2013-08-21 CN disclosed
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
US-7807705-B2 Potent indole-3-carbinol-derived antitumor agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-05 US disclosed
US-7807705-B2 Potent indole-3-carbinol-derived antitumor agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-05 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
US-20080300291-A1 POTENT INDOLE-3-CARBINOL-DERIVED ANTITUMOR AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-12-04 US disclosed
US-20080300291-A1 POTENT INDOLE-3-CARBINOL-DERIVED ANTITUMOR AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-12-04 US 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
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-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 (2 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-20080300291-A1 POTENT INDOLE-3-CARBINOL-DERIVED ANTITUMOR AGENTS CASP3, BAD, BAX AKR1C3 535/4885AKR1C1 918/4885HTR6 113/4885
US-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them HTR3A, HTR3C, HTR2C AKR1C3 1274/4885AKR1C1 1906/4885HTR6 12/4885

“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.