SCHEMBL2281209

SCHEMBL2281209

CCOc1ccc(C2(c3cccc(-c4cccc(Cl)c4)c3)COC(NOC=O)=N2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.54
CTSD P07339 6/20 0.54
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX15 P16050 1/20 0.35
CACNA2D1 P54289 1/20 0.35
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2287022 0.91 BACE1 (0.53) BACE1CTSDTP53MAPTPOLB
SCHEMBL2282097 0.91 BACE1 (0.66) BACE1CTSDKMT2AHPGDKCNH2
SCHEMBL2284535 0.90 BACE1 (0.44) BACE1CTSDTP53MAPTPOLB
SCHEMBL2288380 0.89 BACE1 (0.51) BACE1CTSDTP53SMN1; SMN2NPC1
SCHEMBL2277789 0.88 BACE1 (0.55) BACE1CTSDKCNH2
SCHEMBL2283393 0.88 BACE1 (0.53) BACE1CTSDMAPTHPGDKCNH2
SCHEMBL2279895 0.86 BACE1 (0.56) BACE1CTSDKCNH2
SCHEMBL2282850 0.85 BACE1 (0.49) BACE1CTSDKCNH2
SCHEMBL2287510 0.84 BACE1 (0.59) BACE1CTSD
SCHEMBL2279579 0.83 BACE1 (0.53) BACE1CTSDKCNH2

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 721/4885TP53 3884/4885

“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.