SCHEMBL6097457

SCHEMBL6097457

COc1ccc2c(c1)c(C1=CC(=O)NC1=O)cn2S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.45
HTR1A P08908 1/20 0.45
HTR2A P28223 6/20 0.44
DRD2 P14416 5/20 0.44
HTR7 P34969 3/20 0.44
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43

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
SCHEMBL6100637 0.88 HTR6 (0.54) HTR6HTR1AHTR2ADRD2HTR7
SCHEMBL6099113 0.85 HTR6 (0.50) HTR6
SCHEMBL6099550 0.84 HTR6 (0.46) HTR6HTR1AHTR7
SCHEMBL21222331 0.80 HTR6 (0.53) HTR6HTR1AHTR2ADRD2HTR7
SCHEMBL13302225 0.79 HTR6 (0.57) HTR6HTR1AHTR2ADRD2HTR7
SCHEMBL6097579 0.78 AR (0.47) HTR6
SCHEMBL6099154 0.74 HTR6 (0.52) HTR6HTR2ADRD2HTR7
SCHEMBL6096942 0.74 L3MBTL1 (0.45) HTR6
SCHEMBL6805163 0.74 HTR6 (0.45) HTR6
SCHEMBL4480645 0.73 HTR6 (0.58) HTR6HTR1AHTR2ADRD2HTR7

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-7129250-B2 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2006-10-31 US disclosed
US-20040220202-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-11-04 US disclosed
US-20040102467-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-05-27 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 (2 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-20040220202-A1 Neuroprotective and anti-proliferative compounds NLN, MKI67, BDNF HTR6 765/4885HTR1A 906/4885HTR2A 1218/4885
US-20040102467-A1 Neuroprotective and anti-proliferative compounds MKI67, NLN, BDNF HTR6 883/4885HTR1A 954/4885HTR2A 1327/4885

“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.