SCHEMBL946598

SCHEMBL946598

O=S(=O)(c1ccccc1Br)C(O)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.46
GAA P10253 5/20 0.46
SI P14410 5/20 0.46
MGAM2 Q2M2H8 5/20 0.46
SRC P12931 1/20 0.44
GUSB P08236 3/20 0.43
NR4A2 P43354 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
HTR6 P50406 1/20 0.37
CCKBR P32239 1/20 0.37
HTR2A P28223 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL948077 0.88 MGAM (0.45) MGAMGAASIMGAM2GUSB
SCHEMBL947649 0.87 MGAM (0.42) MGAMGAASIMGAM2GUSB
SCHEMBL949737 0.85 HTR2A (0.49) MGAMGAASIMGAM2SRC
SCHEMBL946391 0.85 SRC (0.48) MGAMGAASIMGAM2SRC
SCHEMBL948127 0.84 HDAC3 (0.45) MGAMGAASIMGAM2
SCHEMBL4770631 0.82 HTR2A (0.46) GAASRCGUSBNR4A2GPR84
SCHEMBL947466 0.82 GUSB (0.46) MGAMGAASIMGAM2SRC
SCHEMBL947971 0.78 MGAM (0.53) MGAMGAASIMGAM2SRC
SCHEMBL947424 0.78 GUSB (0.43) MGAMGAASIMGAM2SRC
SCHEMBL948146 0.76 GUSB (0.46) MGAMGAASIMGAM2SRC

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 MGAM 4375/4885GAA 4706/4885SI 508/4885

“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.