SCHEMBL12420731

SCHEMBL12420731

O=C(O)c1ccc2c(ccn2CCC2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
KDM4C Q9H3R0 1/20 0.47
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HCAR3 P49019 1/20 0.42
PLA2G4A P47712 1/20 0.42

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
SCHEMBL28567591 0.88 ACHE (0.54) ACHEKDM4CHSD17B10GAAL3MBTL1
SCHEMBL4233332 0.80 ESRRG (0.60) ACHEPLGPLAUPLA2G4A
SCHEMBL21818907 0.79 MEN1 (0.55) ACHEKDM4CPLGPLAUPLA2G4A
SCHEMBL31133372 0.79 MEN1 (0.55) ACHEKDM4CPLGPLAUPLA2G4A
SCHEMBL1664063 0.79 PLG (0.51) PLGPLAUPLA2G4A
SCHEMBL28312615 0.78 KDM4E (0.50) ACHEKDM4CHSD17B10GAAL3MBTL1
SCHEMBL4236255 0.78 ESRRG (0.58) PLGPLAUPLA2G4A
SCHEMBL18539228 0.78 PRKCI (0.46) ACHEHSD17B10PLGPLAULMNA
SCHEMBL4934703 0.77 PLA2G4A (0.55) PLGPLAUHCAR3PLA2G4A
SCHEMBL17514249 0.76 PLA2G4A (0.46) PLGPLAUPLA2G4A

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-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R ACHE 327/4885KDM4C 448/4885HSD17B10 1038/4885

“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.