SCHEMBL948577

SCHEMBL948577

O=Cc1cn(S(=O)(=O)c2ccc(F)cc2)c2ccc(Br)cc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
KDM4E B2RXH2 2/20 0.52
UBE2N P61088 1/20 0.52
ALDH1A1 P00352 1/20 0.45
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
KLK7 P49862 2/20 0.42

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
SCHEMBL946321 0.92 KDM4E (0.57) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL945912 0.88 KDM4E (0.67) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL947412 0.87 KDM4E (0.58) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL948143 0.85 HTR6 (0.55) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL4778090 0.84 KDM4E (0.52) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL4776299 0.84 HTR6 (0.62) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL2134631 0.83 KDM4E (0.67) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL949233 0.82 KDM4E (0.52) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL28301830 0.82 KDM4E (0.58) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL947620 0.81 KDM4E (0.49) HTR6CYP3A4CYP2D6KDM4EUBE2N

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 5 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
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
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 12/4885CYP3A4 58/4885CYP2D6 69/4885

“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.