SCHEMBL945665

SCHEMBL945665

COc1ccc2c(ccn2S(=O)(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.76
L3MBTL1 Q9Y468 2/20 0.76
POLB P06746 1/20 0.76
HDAC1 Q13547 7/20 0.70
HDAC6 Q9UBN7 6/20 0.70
HDAC3 O15379 4/20 0.60
HDAC8 Q9BY41 4/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC10 Q969S8 3/20 0.60
HDAC4 P56524 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
PKM P14618 1/20 0.59
HTT P42858 1/20 0.59
FABP4 P15090 1/20 0.54
CYP3A4 P08684 1/20 0.46

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
SCHEMBL31159555 1.00 HTR6 (0.76) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL946543 0.92 HTR6 (0.67) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL949712 0.92 HTR6 (0.84) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL946548 0.88 HTR6 (0.78) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL949160 0.86 HTR6 (0.76) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL5915283 0.86 HTR6 (0.76) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL430473 0.86 HTR6 (1.00) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL31159358 0.86 HTR6 (0.74) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL947644 0.84 HTR6 (0.72) HTR6L3MBTL1POLBHDAC1HDAC6
SCHEMBL31159375 0.83 HDAC1 (0.77) HTR6L3MBTL1POLBHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 12/4885L3MBTL1 4865/4885POLB 3987/4885

“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.