SCHEMBL6099113

SCHEMBL6099113

O=C1C=C(c2cn(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(OCc4ccccc4)cc23)C(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.50
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAOB P27338 3/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL6097579 0.93 AR (0.47) HTR6CTSVCTSLMAPTMEN1
SCHEMBL6099154 0.89 HTR6 (0.52) HTR6MEN1KMT2AHDAC1HDAC6
SCHEMBL6097457 0.85 HTR6 (0.45) HTR6
SCHEMBL6099550 0.82 HTR6 (0.46) HTR6CA12CA9CA1CA2
SCHEMBL6098592 0.77 PPARD (0.48) LMNAMAOBMAOAALDH1A1
SCHEMBL6097466 0.75 MAOB (0.44) MEN1KMT2AMAOBMAOANPC1
SCHEMBL6098735 0.75 BAZ2B (0.48) HTR6MEN1KMT2AMAOBMAOA
SCHEMBL6099720 0.74 PPARD (0.50) HTR6SMN1; SMN2MAOBMAOA
SCHEMBL6100670 0.74 MAOB (0.43) HTR6MAOBMAOA
SCHEMBL6100637 0.73 HTR6 (0.54) HTR6

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 765/4885CTSV 1901/4885CTSL 2174/4885
US-20040102467-A1 Neuroprotective and anti-proliferative compounds MKI67, NLN, BDNF HTR6 883/4885CTSV 2167/4885CTSL 2304/4885

“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.