SCHEMBL5355208

SCHEMBL5355208

NC(=O)c1cc(OCc2ccccc2)ccc1C[CH]CCc1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.41
PARP10 Q53GL7 4/20 0.40
MAOB P27338 2/20 0.39
POLB P06746 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
ROCK2 O75116 1/20 0.37
PARP15 Q460N3 3/20 0.37
PARP14 Q460N5 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
BTK Q06187 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGDR Q13258 1/20 0.36
CHEK2 O96017 1/20 0.36
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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 0.80 SIRT2 (0.48) SIRT2PARP10MAOBPARP15PARP14
SCHEMBL5358933 0.78 PARP10 (0.51) SIRT2PARP10MAOBS1PR1S1PR5
SCHEMBL5354497 0.77 SIRT2 (0.46) SIRT2PARP10MAOB
SCHEMBL6803013 0.72 SIRT2 (0.49) SIRT2PARP10MAOBPARP15BTK
SCHEMBL2982645 0.69 FAAH (0.47) SIRT2PARP10MAOBCHEK2
SCHEMBL15709261 0.69 PARP15 (0.60) SIRT2PARP10MAOBPARP15PARP14
SCHEMBL14021516 0.69 LTA4H (0.46) MAOB
SCHEMBL14021848 0.68 CYP4F2 (0.52) MAOB
SCHEMBL7373069 0.67 TDP1 (0.45) SIRT2PARP10POLB
SCHEMBL4930554 0.67 PARP10 (0.60) SIRT2PARP10MAOBPARP15

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 5 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
EP-1309552-A4 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES UNIV QUEENSLAND (AU) 2005-07-20 EP disclosed
US-20040033995-A1 Compounds and inhibitors of phospholipases QUEENSLAND, THE UNIVERSITY OF (AU) 2004-02-19 US disclosed
EP-1309552-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2003-05-14 EP disclosed
WO-2002008189-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2002-01-31 WO 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 2145/4885MAOB 1169/4885

“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.