SCHEMBL13705137

SCHEMBL13705137

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.51
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
DPP4 P27487 1/20 0.39
OPRK1 P41145 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
STING1 Q86WV6 2/20 0.37
GPR119 Q8TDV5 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
SCHEMBL4290302 0.91 PARP1 (0.49) PARP1PDK1PDK2PDK3PDK4
SCHEMBL13705122 0.89 PARP1 (0.51) PARP1PDK1PDK2PDK3PDK4
SCHEMBL13705138 0.87 PARP1 (0.51) PARP1PDK1PDK2PDK3PDK4
SCHEMBL13705126 0.82 PARP1 (0.51) PARP1PDK1PDK2PDK3PDK4
SCHEMBL13705111 0.81 PARP1 (0.53) PARP1PDK1PDK2PDK3PDK4
SCHEMBL4297276 0.81 PARP1 (0.51) PARP1PDK1PDK2PDK3PDK4
SCHEMBL13705132 0.81 PARP1 (0.51) PARP1PDK1PDK2PDK3PDK4
SCHEMBL8121116 0.81 PARP1 (0.61) PARP1PDK1PDK2PDK3PDK4
SCHEMBL4287841 0.81 PARP1 (0.51) PARP1PDK1PDK2PDK3PDK4
SCHEMBL31376622 0.80 PARP1 (0.57) PARP1PDK1PDK2PDK3PDK4

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PARP1 3523/4885PDK1 1156/4885PDK2 1962/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PARP1 3523/4885PDK1 1156/4885PDK2 1962/4885

“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.