SCHEMBL13611517

SCHEMBL13611517

CCOc1ccc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TP53 P04637 1/20 0.45
HDAC1 Q13547 1/20 0.44

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
SCHEMBL21116106 0.82 PLK1 (0.63) PLK1NPC1RAB9AEPHX2NR1H4
SCHEMBL13459410 0.82 NPC1 (0.76) PLK1NPC1RAB9AEPHX2NR1H4
SCHEMBL4298025 0.79 PLK1 (0.59) PLK1NPC1RAB9AEPHX2NR1H4
SCHEMBL4303909 0.79 MEN1 (0.74) PLK1NPC1RAB9AEPHX2NR1H4
SCHEMBL18382537 0.78 PLK1 (0.67) PLK1NPC1RAB9AEPHX2NR1H4
SCHEMBL4300221 0.76 RAB9A (0.58) PLK1NPC1RAB9AEPHX2NR1H4
SCHEMBL1295592 0.74 PLA2G4B (0.50) PLK1NPC1RAB9AEPHX2NR1H4
SCHEMBL27741033 0.74 ACACB (0.59) NPC1RAB9AEPHX2NR1H4KMT2A
SCHEMBL750350 0.74 NPC1 (0.60) PLK1NPC1RAB9AHPGDPOLB
SCHEMBL11887264 0.74 PARP10 (0.58) PLK1NPC1RAB9AEPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 PLK1 4082/4885NPC1 214/4885RAB9A 2100/4885

“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.