SCHEMBL950432

SCHEMBL950432

COc1ccc2c(ccn2S(=O)(=O)c2ccccc2Br)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.68
POLB P06746 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
FABP4 P15090 5/20 0.58
CHRM1 P11229 1/20 0.56
HDAC1 Q13547 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP3A4 P08684 2/20 0.52
ADRA2A P08913 2/20 0.52
CYP2D6 P10635 2/20 0.52
ADRA2C P18825 2/20 0.52
CYP2C19 P33261 2/20 0.52
HTR2A P28223 1/20 0.52
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL31159459 1.00 HTR6 (0.68) HTR6POLBL3MBTL1FABP4CHRM1
SCHEMBL947968 0.91 HTR6 (0.65) HTR6POLBL3MBTL1FABP4CHRM1
SCHEMBL946378 0.86 HTR6 (0.59) HTR6POLBL3MBTL1FABP4CHRM1
SCHEMBL950395 0.85 HTR6 (0.57) HTR6POLBL3MBTL1FABP4CHRM1
SCHEMBL946672 0.82 HTR6 (0.55) HTR6POLBL3MBTL1FABP4CHRM1
SCHEMBL430473 0.81 HTR6 (1.00) HTR6POLBL3MBTL1FABP4HDAC1
SCHEMBL3425685 0.80 HTR6 (0.60) HTR6L3MBTL1FABP4CHRM1MEN1
SCHEMBL31159555 0.79 HTR6 (0.76) HTR6POLBL3MBTL1FABP4HDAC1
SCHEMBL945665 0.79 HTR6 (0.76) HTR6POLBL3MBTL1FABP4HDAC1
SCHEMBL3427594 0.79 HTT (0.62) HTR6L3MBTL1FABP4CHRM1MEN1

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 8 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-7781476-B2 Serotonin and melatonergic ligands such as 10-(4-Methylpiperazin-1-ylmethyl)-5-thia-4b-aza-indeno[2,1-a]indene-5,5-dioxide, used for the treatment of psychological disorders, side effect reduction of antipsychotic drugs, neurodegenerative disorders, chemotherapy-induced vomiting and eating disorders SUVEN LIFE SCIENCES LIMITED (IN) 2010-08-24 US disclosed
US-20070142398-A1 Tetracyclic 3-substituted indoles having serotonin receptor affinity SUVEN LIFE SCIENCES LIMITED (IN) 2007-06-21 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-1581538-A1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY Suven Life Sciences Limited (IN) 2005-10-05 EP 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-2004055026-A1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY SUVEN LIFE SCIENCES LIMITED (IN) 2004-07-01 WO 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-20070142398-A1 Tetracyclic 3-substituted indoles having serotonin receptor affinity HTR3A, HTR3C, HTR3B HTR6 9/4885POLB 4814/4885L3MBTL1 3819/4885
US-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them HTR3A, HTR3C, HTR2C HTR6 12/4885POLB 3987/4885L3MBTL1 4865/4885

“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.