SCHEMBL2283136

SCHEMBL2283136

O=CONC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(c2ccc3c(c2)CCO3)CO1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.44
CTSD P07339 5/20 0.44
BACE2 Q9Y5Z0 1/20 0.39
KCNH2 Q12809 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.34
GSK3B P49841 1/20 0.33
ERN1 O75460 3/20 0.32
FABP4 P15090 4/20 0.32
FABP3 P05413 2/20 0.32
FABP5 Q01469 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
CFTR P13569 1/20 0.31

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
SCHEMBL2281207 0.88 BACE1 (0.41) BACE1CTSDBACE2KCNH2ERN1
SCHEMBL2288380 0.86 BACE1 (0.51) BACE1CTSDKCNH2TP53
SCHEMBL2283587 0.84 BACE1 (0.43) BACE1CTSDBACE2KCNH2
SCHEMBL2285156 0.83 BACE1 (0.49) BACE1CTSDBACE2
SCHEMBL2282097 0.83 BACE1 (0.66) BACE1CTSDKCNH2
SCHEMBL2281336 0.82 BACE1 (0.41) BACE1CTSDBACE2ERN1
SCHEMBL2279895 0.81 BACE1 (0.56) BACE1CTSDKCNH2GSK3B
SCHEMBL2281209 0.81 BACE1 (0.54) BACE1CTSDKCNH2MAPTTP53
Formic Acid SCHEMBL2283131 0.81 BACE1 (0.58) BACE1CTSDBACE2KCNH2PTGES2
SCHEMBL2283393 0.80 BACE1 (0.53) BACE1CTSDKCNH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 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-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES BACE2, BACE1, PSEN2 BACE1 2/4885CTSD 721/4885BACE2 1/4885

“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.