SCHEMBL946739

SCHEMBL946739

CC(C)c1ccc(S(=O)(=O)n2cc(CCl)c3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.50
CYP3A4 P08684 5/20 0.49
CYP2D6 P10635 5/20 0.49
HTR2A P28223 1/20 0.48

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
SCHEMBL947494 0.89 HTR6 (0.52) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL947813 0.88 HTR6 (0.48) HTR6
SCHEMBL947358 0.86 HTR6 (0.50) HTR6
SCHEMBL948528 0.85 HTR6 (0.49) HTR6CYP3A4CYP2D6
SCHEMBL946534 0.85 HTR6 (0.49) HTR6
SCHEMBL946590 0.85 HTR6 (0.56) HTR6CYP3A4CYP2D6
SCHEMBL947232 0.83 HTR6 (0.69) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL948184 0.83 HTR6 (0.75) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL4792918 0.81 HTR6 (0.70) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL946386 0.81 KDM4E (0.49) HTR6CYP3A4CYP2D6HTR2A

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 2 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

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.