SCHEMBL492693

SCHEMBL492693

O=C(O)c1nsc2cc(N3CCCC3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.46
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
ERCC1 P07992 1/20 0.42
DNASE1 P24855 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
TERT O14746 3/20 0.41
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
DHODH Q02127 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 5/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL492253 0.89 CHKA (0.42) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL492279 0.88 CHEK1 (0.44) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL4510450 0.88 MEN1 (0.52) ALDH1A1KDM4EMEN1KMT2ACSNK2A1
SCHEMBL492949 0.82 TDP1 (0.50) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL492381 0.82 SETD2 (0.38) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL492722 0.82 ABL1 (0.42)
SCHEMBL492891 0.82 ABL1 (0.42)
SCHEMBL492151 0.80 HDAC4 (0.45) POLB
SCHEMBL10993796 0.79 KDM4E (0.40) HSD17B10ALDH1A1HPGDKDM4EMAPT
SCHEMBL491967 0.78 SOS1 (0.34) ALDH1A1KDM4EMEN1KMT2AMAPT

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 IP6K1 671/4885HSD17B10 3012/4885ALDH1A1 1707/4885
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 IP6K1 846/4885HSD17B10 2436/4885ALDH1A1 1178/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 IP6K1 671/4885HSD17B10 3012/4885ALDH1A1 1707/4885

“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.