SCHEMBL946492

SCHEMBL946492

O=Cc1cn(S(=O)(=O)c2ccc(Br)cc2)c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.77
UBE2N P61088 1/20 0.77
AKR1C3 P42330 1/20 0.63
AKR1C1 Q04828 1/20 0.63
HTR6 P50406 9/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
ALDH1A1 P00352 2/20 0.46
IMPDH2 P12268 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL723339 0.88 KDM4E (0.81) KDM4EUBE2NAKR1C3AKR1C1HTR6
SCHEMBL29576861 0.88 KDM4E (0.81) KDM4EUBE2NAKR1C3AKR1C1HTR6
SCHEMBL29694480 0.87 KDM4E (1.00) KDM4EUBE2NHTR6L3MBTL1HTT
SCHEMBL946372 0.87 KDM4E (1.00) KDM4EUBE2NHTR6L3MBTL1HTT
SCHEMBL30542061 0.86 KDM4E (0.77) KDM4EUBE2NAKR1C3AKR1C1HTR6
SCHEMBL14735529 0.86 KDM4E (0.77) KDM4EUBE2NAKR1C3AKR1C1HTR6
SCHEMBL946321 0.86 KDM4E (0.57) KDM4EUBE2NAKR1C3AKR1C1HTR6
SCHEMBL946340 0.86 KDM4E (0.77) KDM4EUBE2NAKR1C3AKR1C1HTR6
SCHEMBL14735377 0.83 KDM4E (0.73) KDM4EUBE2NAKR1C3AKR1C1HTR6
SCHEMBL947412 0.83 KDM4E (0.58) KDM4EUBE2NAKR1C3AKR1C1HTR6

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
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
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
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 (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 KDM4E 3995/4885UBE2N 1597/4885AKR1C3 1274/4885

“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.