SCHEMBL13705111

SCHEMBL13705111

CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1CCn1nc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
OPRK1 P41145 1/20 0.40
DPP4 P27487 1/20 0.39
ABHD6 Q9BV23 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
HTT P42858 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
GRN P28799 2/20 0.37
SORT1 Q99523 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37

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 0.81 PARP1 (0.51) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL13705138 0.81 PARP1 (0.51) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL16680548 0.81 PARP1 (0.61) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL8230203 0.81 PARP1 (0.61) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL8121116 0.81 PARP1 (0.61) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL12172480 0.81 PARP1 (0.61) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL13705136 0.81 PARP1 (0.54) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL13705107 0.80 PARP1 (0.60) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL13705128 0.80 PARP1 (0.56) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL13705122 0.80 PARP1 (0.51) PARP1NR1H2NR1H3PDK1PDK2

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 3523/4885NR1H2 1529/4885NR1H3 1495/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PARP1 3523/4885NR1H2 1529/4885NR1H3 1495/4885

“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.