SCHEMBL948778

SCHEMBL948778

COc1ccc2[nH]cc(C(O)S(=O)(=O)c3ccc(C)cc3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
GAA P10253 5/20 0.55
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
NR4A2 P43354 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 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
SCHEMBL950480 0.94 HTR2A (0.55) MAPTGAAHTR2AHTR2CHTR2B
SCHEMBL946609 0.89 SMN1; SMN2 (0.58) MAPTGAAHTR2AHTR2CHTR2B
SCHEMBL948641 0.89 HTR2A (0.51) MAPTGAAHTR2AHTR2CHTR2B
SCHEMBL950574 0.89 MAPT (0.55) MAPTGAAHTR2AHTR2CHTR2B
SCHEMBL4794714 0.88 HTR2A (0.53) MAPTGAAHTR2AHTR2CHTR2B
SCHEMBL946625 0.85 HTR2A (0.45) MAPTGAAHTR2AHTR2CHTR2B
SCHEMBL950364 0.85 MEN1 (0.56) MAPTHTR2AHTR2CHTR2BMTNR1A
SCHEMBL947971 0.83 MGAM (0.53) MAPTGAAMGAMSIMGAM2
SCHEMBL949420 0.83 POLB (0.56) GAAHTR2AMGAMSIMGAM2
SCHEMBL946605 0.82 GABRP (0.50) GAAHTR2AHTR2CHTR2BMTNR1A

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 MAPT 123/4885GAA 4706/4885HTR2A 5/4885

“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.