SCHEMBL6097509

SCHEMBL6097509

O=C1C=C(c2cn(S(=O)(=O)c3ccccc3[N+](=O)[O-])c3ccccc23)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MET P08581 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PKM P14618 1/20 0.40
HTR6 P50406 3/20 0.39
HTR1A P08908 1/20 0.39
DRD3 P35462 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL6099550 0.84 HTR6 (0.46) CA2CA9HTR6HTR1A
SCHEMBL6098330 0.78 L3MBTL1 (0.62) CA2CA9HTR6HTR2A
SCHEMBL6097111 0.75 HTR6 (0.47) CA2CA9PKMHTR6LMNA
SCHEMBL6111662 0.73 HTR6 (0.45) HTR6HTR2A
SCHEMBL6111241 0.72 HTR6 (0.54) CA2CA9HTR6LMNAMEN1
SCHEMBL187145 0.72 PTPN1 (0.55) CA2CA9METALDH1A1PKM
SCHEMBL29447181 0.72 PTPN1 (0.55) CA2CA9METALDH1A1PKM
SCHEMBL6099560 0.69 HTR6 (0.38) HTR6HTR1AHTR2A
SCHEMBL3600677 0.69 KDM4E (0.46) ALDH1A1POLB
SCHEMBL6099312 0.69 HTR6 (0.52) CA9HTR6HTR2A

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 GAA 2940/4885CA2 4091/4885CA9 4487/4885
US-20040102467-A1 Neuroprotective and anti-proliferative compounds MKI67, NLN, BDNF GAA 2982/4885CA2 4077/4885CA9 4491/4885

“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.