SCHEMBL948701

SCHEMBL948701

CC(C)c1ccc(S(=O)(=O)n2ccc3cc(Br)ccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
PKM P14618 2/20 0.56
MEN1 O00255 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
FABP4 P15090 2/20 0.49
FABP3 P05413 1/20 0.47
FABP2 P12104 1/20 0.47
FABP5 Q01469 1/20 0.47
POLB P06746 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 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
SCHEMBL947751 0.85 HTR6 (0.63) HTR6L3MBTL1MEN1HTTKMT2A
SCHEMBL29523550 0.85 L3MBTL1 (0.60) HTR6L3MBTL1PKMMEN1HTT
SCHEMBL1513414 0.85 L3MBTL1 (0.60) HTR6L3MBTL1PKMMEN1HTT
SCHEMBL947644 0.82 HTR6 (0.72) HTR6L3MBTL1MEN1KMT2AFABP4
SCHEMBL34460046 0.81 HTR6 (0.68) HTR6L3MBTL1PKMMEN1HTT
SCHEMBL3526978 0.81 HTR6 (0.68) HTR6L3MBTL1PKMMEN1HTT
SCHEMBL946543 0.81 HTR6 (0.67) HTR6L3MBTL1PKMMEN1HTT
SCHEMBL12097017 0.81 HTR6 (0.55) HTR6L3MBTL1MEN1HTTKMT2A
SCHEMBL31159555 0.76 HTR6 (0.76) HTR6L3MBTL1PKMMEN1HTT
SCHEMBL945665 0.76 HTR6 (0.76) HTR6L3MBTL1PKMMEN1HTT

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 4865/4885PKM 2825/4885

“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.