SCHEMBL4290302

SCHEMBL4290302

CCOC(=O)c1cc(C2CC2)nn1CC[C@@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
ABHD6 Q9BV23 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP4 P27487 1/20 0.37
OPRK1 P41145 1/20 0.37
MAPT P10636 1/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL13705137 0.91 PARP1 (0.51) PARP1SMN1; SMN2POLBPDK1PDK2
SCHEMBL13705122 0.86 PARP1 (0.51) PARP1SMN1; SMN2POLBPDK1PDK2
SCHEMBL13705138 0.85 PARP1 (0.51) PARP1PDK1PDK2PDK3PDK4
SCHEMBL13705126 0.80 PARP1 (0.51) PARP1SMN1; SMN2PDK1PDK2PDK3
SCHEMBL13705131 0.80 PARP1 (0.53) PARP1SMN1; SMN2PDK1PDK2PDK3
SCHEMBL13705111 0.79 PARP1 (0.53) PARP1SMN1; SMN2PDK1PDK2PDK3
SCHEMBL13705132 0.79 PARP1 (0.51) PARP1SMN1; SMN2PDK1PDK2PDK3
SCHEMBL4297276 0.79 PARP1 (0.51) PARP1PDK1PDK2PDK3PDK4
SCHEMBL8121116 0.78 PARP1 (0.61) PARP1SMN1; SMN2PDK1PDK2PDK3
SCHEMBL4287841 0.78 PARP1 (0.51) PARP1SMN1; SMN2PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 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 (1 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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PARP1 3523/4885SMN1; SMN2 4811/4885POLB 3799/4885

“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.