SCHEMBL947717

SCHEMBL947717

CC(C)c1ccc(S(=O)(=O)n2cc(C(=O)N(C)CCN(C)C)c3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.69
TNFSF11 O14788 7/20 0.65
HTR6 P50406 8/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR1F P30939 1/20 0.49
HTR7 P34969 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL947109 0.87 TNFSF11 (0.74) TNFTNFSF11HTR6HDAC1HDAC2
SCHEMBL948005 0.85 TNF (0.69) TNFTNFSF11HTR6HDAC1HDAC2
SCHEMBL947716 0.83 TNF (0.53) TNFTNFSF11HTR6HDAC1HDAC2
SCHEMBL946881 0.81 LMNA (0.76) TNFTNFSF11HTR6HDAC1HDAC2
SCHEMBL947655 0.81 AKR1C3 (0.72) TNFTNFSF11HTR6HDAC1HDAC2
SCHEMBL5330300 0.77 HTR6 (0.53) HTR6CYP3A4CYP2D6HTR1ADRD2
SCHEMBL3564346 0.77 HTR6 (0.58) HTR6CYP3A4CYP2D6HTR1ADRD2
SCHEMBL5327825 0.76 HTR6 (0.52) HTR6CYP3A4CYP2D6HTR1ADRD2
SCHEMBL947738 0.75 HTR6 (0.68) HTR6CYP3A4CYP2D6HTR1ADRD2
SCHEMBL28709439 0.74 HDAC1 (0.69) TNFTNFSF11HTR6HDAC1HDAC2

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 TNF 4730/4885TNFSF11 3457/4885HTR6 12/4885

“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.