SCHEMBL945543

SCHEMBL945543

O=S(=O)(c1ccc(F)cc1)n1cc(CCl)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.72
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
HTR1F P30939 1/20 0.52
HTR7 P34969 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL946710 0.88 HTR6 (0.73) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL950565 0.87 HTR6 (0.74) HTR6CYP3A4CYP2D6HTR1ADRD2
SCHEMBL948613 0.86 HTR6 (0.63) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL945595 0.86 HTR6 (0.72) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL947469 0.83 HTR6 (0.74) HTR6
SCHEMBL949820 0.83 HTR6 (0.67) HTR6CYP3A4CYP2D6
SCHEMBL946690 0.83 HTR6 (0.67) HTR6CYP3A4CYP2D6HTR1ADRD2
SCHEMBL947828 0.82 HTR6 (0.66) HTR6CYP3A4CYP2D6
SCHEMBL947565 0.79 HTR6 (0.69) HTR6CYP3A4CYP2D6HTR1ADRD2
SCHEMBL948528 0.79 HTR6 (0.49) HTR6CYP3A4CYP2D6

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 3 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

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.