SCHEMBL947109

SCHEMBL947109

CN(C)CCN(C)C(=O)c1cn(S(=O)(=O)c2ccc(F)cc2)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNFSF11 O14788 7/20 0.74
▸ TNF P01375 6/20 0.71
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HTR6 P50406 7/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ HTR1D P28221 1/20 0.51
▸ HTR1B P28222 1/20 0.51
▸ HTR1F P30939 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ AKR1C3 P42330 1/20 0.50
▸ AKR1C1 Q04828 1/20 0.50

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
SCHEMBL948005 0.87 TNF (0.69) TNFSF11TNFHDAC1HDAC2HDAC6
SCHEMBL947717 0.87 TNF (0.69) TNFSF11TNFHDAC1HDAC2HDAC6
SCHEMBL4775401 0.82 HTR6 (0.55) TNFSF11TNFHDAC1HDAC2HDAC6
SCHEMBL947107 0.80 TNFSF11 (0.56) TNFSF11TNFHDAC1HDAC2HDAC6
SCHEMBL947625 0.79 AKR1C3 (0.78) TNFSF11TNFHDAC1HDAC2HDAC6
SCHEMBL949155 0.78 HTR6 (0.65) TNFSF11HDAC1HDAC2HDAC6HTR6
Hydrochloric Acid SCHEMBL946790 0.77 HTR6 (0.63) TNFSF11HDAC1HDAC2HDAC6HTR6
SCHEMBL3563421 0.76 HTR6 (0.76) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5330256 0.76 HTR6 (0.53) TNFSF11HTR6HTR1ADRD2HTR1D
SCHEMBL28709439 0.76 HDAC1 (0.69) TNFSF11TNFHDAC1HDAC2HDAC6

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
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 claimed
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 claimed
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 TNFSF11 3457/4885TNF 4730/4885HDAC1 3946/4885

“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.

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