SCHEMBL947716

SCHEMBL947716

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 4/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC2 Q92769 1/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTR6 P50406 5/20 0.51
TNFSF11 O14788 3/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
AKR1C3 P42330 1/20 0.50
AKR1C1 Q04828 1/20 0.50
PLK1 P53350 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX5 P09917 2/20 0.45
PTGS2 P35354 1/20 0.44

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
SCHEMBL947107 0.89 TNFSF11 (0.56) TNFHDAC1HDAC6HDAC2LMNA
SCHEMBL948004 0.87 HTR6 (0.54) TNFHDAC1HDAC6HDAC2LMNA
SCHEMBL947717 0.83 TNF (0.69) TNFHDAC1HDAC6HDAC2LMNA
SCHEMBL946881 0.83 LMNA (0.76) TNFHDAC1HDAC6HDAC2LMNA
SCHEMBL947655 0.83 AKR1C3 (0.72) TNFHDAC1HDAC6HDAC2LMNA
SCHEMBL28709439 0.76 HDAC1 (0.69) TNFHDAC1HDAC6HDAC2LMNA
SCHEMBL946724 0.75 HTR6 (0.67) TNFLMNASMN1; SMN2HTR6TNFSF11
SCHEMBL5330295 0.74 HTR6 (0.54) HTR6CYP3A4CYP2D6
SCHEMBL947738 0.74 HTR6 (0.68) HTR6CYP3A4CYP2D6
SCHEMBL949830 0.74 HTR6 (0.59) LMNASMN1; SMN2HTR6CYP3A4CYP2D6

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 4730/4885HDAC1 3946/4885HDAC6 1741/4885

“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.