SCHEMBL6099550

SCHEMBL6099550

O=C1C=C(c2cn(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.46
CA9 Q16790 5/20 0.45
CA2 P00918 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 4/20 0.44
CA1 P00915 1/20 0.44
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL6098330 0.85 L3MBTL1 (0.62) HTR6CA9CA2L3MBTL1CA12
SCHEMBL6097509 0.84 GAA (0.46) HTR6CA9CA2HTR1A
SCHEMBL6097457 0.84 HTR6 (0.45) HTR6HTR1AHTR7
SCHEMBL6099113 0.82 HTR6 (0.50) HTR6CA9CA2CA12CA1
SCHEMBL6111241 0.79 HTR6 (0.54) HTR6CA9CA2L3MBTL1CA12
SCHEMBL14406219 0.78 HTR6 (0.72) HTR6CA9CA2L3MBTL1CA12
SCHEMBL6097111 0.76 HTR6 (0.47) HTR6CA9CA2L3MBTL1CA12
SCHEMBL6097579 0.75 AR (0.47) HTR6CA9CA2
SCHEMBL20562314 0.73 HTR6 (0.54) HTR6CA9CA2L3MBTL1CA12
SCHEMBL3334661 0.73 L3MBTL1 (0.64) HTR6CA9CA2L3MBTL1CA12

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-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
EP-1283836-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS Aegera Therapeutics Inc. (CA) 2003-02-19 EP disclosed
WO-2001087887-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2001-11-22 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 (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 765/4885CA9 4487/4885CA2 4091/4885
US-20040102467-A1 Neuroprotective and anti-proliferative compounds MKI67, NLN, BDNF HTR6 883/4885CA9 4491/4885CA2 4077/4885

“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.