SCHEMBL492393

SCHEMBL492393

CCOC(=O)c1nsc2cc(N3C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
RET P07949 2/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
HDAC1 Q13547 1/20 0.37
HSD11B1 P28845 1/20 0.37
MAPK8 P45983 1/20 0.37
IDH1 O75874 1/20 0.36
SPR P35270 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAP3K13 O43283 1/20 0.33
MAP3K12 Q12852 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL492629 0.88 PARP1 (0.45) PARP1GPR119RETNR1H2HDAC1
SCHEMBL12723837 0.81 PARP1 (0.42) PARP1GPR119RETHDAC1HSD11B1
SCHEMBL2387458 0.79 GPR119 (0.47) PARP1GPR119RETHDAC1HSD11B1
SCHEMBL17869737 0.79 GPR119 (0.47) PARP1GPR119RETHDAC1HSD11B1
SCHEMBL492141 0.75 MAPT (0.43) GPR119MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL25899695 0.73 GPR119 (0.50) PARP1GPR119RETHDAC1HSD11B1
SCHEMBL31235483 0.73 GPR119 (0.53) PARP1GPR119RETHDAC1HSD11B1
SCHEMBL31126227 0.73 GPR119 (0.46) PARP1GPR119RETHDAC1HSD11B1
SCHEMBL492549 0.72 PDE10A (0.38) GPR119RETNR1H2NR1H3HSD11B1
SCHEMBL30411723 0.72 HDAC1 (0.47) PARP1GPR119RETNR1H2NR1H3

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 4 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-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF SCHUMACHER RICHARD 2010-06-03 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 (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-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 PARP1 4290/4885GPR119 98/4885RET 1950/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 PARP1 4290/4885GPR119 98/4885RET 1950/4885

“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.