SCHEMBL949809

SCHEMBL949809

Cc1ccc(S(=O)(=O)n2cc(C=O)c3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
UBE2N P61088 1/20 0.63
HTR6 P50406 6/20 0.46
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL946363 0.90 KDM4E (0.56) KDM4EUBE2NHTR6CA2CA9
SCHEMBL947620 0.89 KDM4E (0.49) KDM4EUBE2NHTR6CA2CA9
SCHEMBL947579 0.89 KDM4E (0.49) KDM4EUBE2NHTR6CA2CA9
SCHEMBL946386 0.89 KDM4E (0.49) KDM4EUBE2NHTR6CA2CA9
SCHEMBL947745 0.89 KDM4E (0.49) KDM4EUBE2NHTR6CA2CA9
SCHEMBL3336536 0.84 HTR6 (0.47) KDM4EUBE2NHTR6L3MBTL1SMN1; SMN2
SCHEMBL3334661 0.82 L3MBTL1 (0.64) KDM4EUBE2NHTR6CA2CA9
SCHEMBL28903368 0.81 KDM4E (0.71) KDM4EUBE2NHTR6CA2CA9
SCHEMBL946840 0.81 KDM4E (0.67) KDM4EUBE2NHTR6CA2CA9
SCHEMBL945912 0.81 KDM4E (0.67) KDM4EUBE2NHTR6CA2CA9

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
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
EP-1581492-A1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM Suven Life Sciences Limited (IN) 2005-10-05 EP disclosed
WO-2004048330-A1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO 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 KDM4E 3995/4885UBE2N 1597/4885HTR6 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.