SCHEMBL492273

SCHEMBL492273

CC(C)(C)OC(=O)c1n[nH]c2nc(-c3ccccc3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
GSK3B P49841 6/20 0.48
GSK3A P49840 4/20 0.48
GAA P10253 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
STAT3 P40763 1/20 0.41
HIF1A Q16665 1/20 0.41
FEN1 P39748 1/20 0.40
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA6 Q16445 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 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
SCHEMBL492336 0.81 GSK3B (0.56) ALDH1A1LMNAGSK3BGSK3AGAA
SCHEMBL30526295 0.79 ALDH1A1 (0.45) ALDH1A1LMNAGAAABCG2KDM4E
SCHEMBL492450 0.79 ALDH1A1 (0.45) ALDH1A1LMNAGAAABCG2KDM4E
SCHEMBL5435670 0.73 KDM4E (0.69) ALDH1A1LMNAKDM4ESTAT3HIF1A
SCHEMBL30526306 0.72 ALDH1A1 (0.40) ALDH1A1LMNAKDM4ESTAT3HIF1A
SCHEMBL25969374 0.72 ALDH1A1 (0.40) ALDH1A1LMNAKDM4ESTAT3HIF1A
SCHEMBL7402340 0.72 LMNA (0.70) ALDH1A1LMNAGSK3BGAAABCG2
SCHEMBL8801559 0.71 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL8801593 0.71 KDM4E (0.41) ALDH1A1LMNAKDM4EACACBMEN1
SCHEMBL12035265 0.70 GSK3A (0.52) ALDH1A1GSK3BGSK3AGAAKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273891-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-25 US disclosed
US-8106066-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-01-31 US disclosed
US-7932248-B2 3-(1,4-Diazabicyclo[3.2.2]non-4-ylcarbonyl)-5-(tetrahydro-2H-pyran-4-yloxy)-1H-indazole,nicotinic receptor agonists; particularly ligands for the nicotinic alpha-7-receptor(alpha 7 nAChR subtype); brain disorders; neuroprotectants; strokes; antiischemic agents; glutamate-induced excitotoxicity MEMORY PHARMACEUTICALS CORPORATION (US) 2011-04-26 US disclosed
US-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF SCHUMACHER RICHARD 2010-06-03 US disclosed
US-20070135417-A1 3-(1,4-Diazabicyclo[3.2.2]non-4-ylcarbonyl)-5-(tetrahydro-2H-pyran-4-yloxy)-1H-indazole,nicotinic receptor agonists; particularly ligands for the nicotinic alpha-7-receptor(alpha 7 nAChR subtype); brain disorders; neuroprotectants; strokes; antiischemic agents; glutamate-induced excitotoxicity MEMORY PHARMACEUTICALS CORPORATION 2007-06-14 US disclosed
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2007-04-05 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 (3 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-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 ALDH1A1 1707/4885LMNA 2847/4885GSK3B 1650/4885
US-20070135417-A1 3-(1,4-Diazabicyclo[3.2.2]non-4-ylcarbonyl)-5-(tetrahydro-2H-pyran-4-yloxy)-1H-indazole,nicotinic receptor agonists; particularly ligands for the nicotinic alpha-7-receptor(alpha 7 nAChR subtype); brain disorders; neuroprotectants; strokes; antiischemic agents; glutamate-induced excitotoxicity CHRNA7, CHRNA5, CHRNA3 ALDH1A1 1178/4885LMNA 2213/4885GSK3B 2123/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 ALDH1A1 1707/4885LMNA 2847/4885GSK3B 1650/4885

“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.