SCHEMBL947883

SCHEMBL947883

O=[N+]([O-])c1ccc2[nH]cc(CCl)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.59
PKM P14618 1/20 0.56
PKLR P30613 1/20 0.56
PTPRA P18433 1/20 0.47
PARP1 P09874 2/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 1/20 0.46
PLA2G2A P14555 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR2A P28223 1/20 0.46
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45

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
SCHEMBL27929617 0.87 NQO2 (0.61) NQO2PKMPKLRPTPRAMAPT
SCHEMBL3294986 0.86 NQO2 (0.64) NQO2PKMPKLRMAPTSMN1; SMN2
SCHEMBL7008593 0.84 NQO2 (0.66) NQO2PKMPKLRMAPTSMN1; SMN2
SCHEMBL797369 0.84 NQO2 (0.62) NQO2PKMPKLRPTPRAMAPT
SCHEMBL9664626 0.84 NQO2 (0.59) NQO2PKMPKLRPTPRAMAPT
SCHEMBL8544051 0.84 NQO2 (0.59) NQO2PKMPKLRMAPTSMN1; SMN2
SCHEMBL11537110 0.82 NQO2 (0.63) NQO2PKMPKLRPTPRAMAPT
SCHEMBL8629832 0.82 NQO2 (0.67) NQO2PKMPKLRPTPRAMAPT
SCHEMBL31098071 0.82 NQO2 (0.63) NQO2PKMPKLRPTPRAMAPT
SCHEMBL31098035 0.82 NQO2 (0.67) NQO2PKMPKLRPTPRAMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101544592-B Process for preparation of N-arylsulfonyl-3-substituted indoles SUVEN LIFE SCIENCES LTD 2013-08-21 CN disclosed
CN-1720225-B N-arylsulfonyl-3-substituted indoles having 5-hydroxytryptamine receptor affinity, process for their preparation and pharmaceutical compositions containing them SUVEN LIFE SCIENCES LTD 2011-05-18 CN disclosed
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
CN-101544592-A N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LTD (IN) 2009-09-30 CN 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
CN-1720225-A N-arylsulfonyl-3-substituted indoles having 5-hydroxytryptamine receptor affinity, process for their preparation and pharmaceutical compositions containing them SUVEN LIFE SCIENCES LTD (IN) 2006-01-11 CN 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 NQO2 1765/4885PKM 2825/4885PKLR 3764/4885

“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.