SCHEMBL5354497

SCHEMBL5354497

N#CCC[CH]Cc1ccc(OCc2ccccc2)cc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.46
PARP10 Q53GL7 1/20 0.45
GUSB P08236 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
MAOB P27338 3/20 0.44
NR4A2 P43354 1/20 0.41

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
SCHEMBL5352876 0.85 SIRT2 (0.48) SIRT2PARP10MAOBNR4A2
SCHEMBL6803013 0.84 SIRT2 (0.49) SIRT2PARP10KDM4ENPC1GAA
SCHEMBL5358933 0.84 PARP10 (0.51) SIRT2PARP10MAOBNR4A2
SCHEMBL5355208 0.77 SIRT2 (0.41) SIRT2PARP10MAOB
SCHEMBL15775940 0.75 PARP10 (0.51) SIRT2PARP10KDM4ENPC1GAA
SCHEMBL15709261 0.74 PARP15 (0.60) SIRT2PARP10MAPTMAOB
SCHEMBL10259006 0.73 NR4A2 (0.54) GUSBMAOBNR4A2
SCHEMBL4930554 0.72 PARP10 (0.60) SIRT2PARP10GAAMAPTRAB9A
SCHEMBL7370244 0.71 SPHK2 (0.47) SIRT2PARP10MAOB
SCHEMBL7907691 0.70 MAOB (0.73) SIRT2PARP10NPC1RAB9AMAOB

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-7253194-B2 Compounds and inhibitors of phospholipases THE UNIVERSITY OF QUEENSLAND (AU) 2007-08-07 US disclosed
US-20040033995-A1 Compounds and inhibitors of phospholipases QUEENSLAND, THE UNIVERSITY OF (AU) 2004-02-19 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-20040033995-A1 Compounds and inhibitors of phospholipases PLA2G4C, PLA2G4B, PLA2G4A SIRT2 4701/4885PARP10 2145/4885GUSB 792/4885

“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.