SCHEMBL2284115

SCHEMBL2284115

COc1cccc(-c2cc(C3(c4ccccc4)COC(NOC=O)=N3)ccc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.52
CTSD P07339 7/20 0.52
DHODH Q02127 1/20 0.36
KCNH2 Q12809 1/20 0.34
VCP P55072 1/20 0.34
TNIK Q9UKE5 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 2/20 0.34

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
SCHEMBL2283475 0.94 BACE1 (0.55) BACE1CTSDTNIK
SCHEMBL2283355 0.90 BACE1 (0.46) BACE1CTSDDHODHTNIK
SCHEMBL2279474 0.88 BACE1 (0.50) BACE1CTSD
SCHEMBL2281928 0.88 BACE1 (0.69) BACE1CTSDKCNH2TNIK
SCHEMBL2284002 0.87 BACE1 (0.47) BACE1CTSDKCNH2
SCHEMBL2284060 0.86 BACE1 (0.53) BACE1CTSDKCNH2
SCHEMBL2283445 0.86 BACE1 (0.51) BACE1CTSDTNIK
Ammonia Solution, Strong SCHEMBL13685453 0.85 BACE1 (0.55) BACE1CTSDDHODHKCNH2KDM1A
SCHEMBL2279579 0.85 BACE1 (0.53) BACE1CTSDKCNH2
SCHEMBL2277204 0.84 BACE1 (0.49) BACE1CTSDTNIK

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-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 721/4885DHODH 2124/4885

“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.