SCHEMBL3388039

SCHEMBL3388039

CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
CYP2C19 P33261 1/20 0.43
GRIN2B Q13224 4/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NTSR1 P30989 1/20 0.41
CTSK P43235 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD11B1 P28845 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL11978250 1.00 PDE4B (0.49) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL3388042 1.00 PDE4B (0.49) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL4132526 0.94 PDE4B (0.51) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL4126051 0.94 PDE4B (0.51) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL13631060 0.92 PDE4B (0.53) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL3388396 0.88 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL1355893 0.88 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL13315211 0.88 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL19918950 0.88 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL3388401 0.88 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT

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-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB 2012-10-25 US disclosed
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 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 (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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 PDE4B 1755/4885SMN1; SMN2 3871/4885NPC1 2339/4885
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 PDE4B 1755/4885SMN1; SMN2 3871/4885NPC1 2339/4885

“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.