SCHEMBL2279259

SCHEMBL2279259

COc1cccc(COc2cccc(C3(c4ccc(OC)c(C)c4)COC(NOC=O)=N3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 6/20 0.36
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ABCB1 P08183 2/20 0.35
HTR1A P08908 2/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
BCHE P06276 2/20 0.34
ALOX5 P09917 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
DRD2 P14416 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL13685481 0.86 BACE1 (0.43)
Formic Acid SCHEMBL2279255 0.83 BACE1 (0.44) ADAM17NPC1RAB9AMEN1KMT2A
SCHEMBL3395251 0.83 BACE1 (0.48) ADAM17NPC1RAB9AMEN1KMT2A
SCHEMBL2281124 0.83 BACE1 (0.48) ADAM17NPC1RAB9AMEN1KMT2A
SCHEMBL2285126 0.81 EGFR (0.38) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL2282206 0.81 BACE1 (0.45)
SCHEMBL2283355 0.80 BACE1 (0.46)
SCHEMBL2285107 0.79 BACE1 (0.51) NPC1MAPTSMN1; SMN2
SCHEMBL2283610 0.78 MTNR1B (0.35) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2281058 0.77 BACE1 (0.52)

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 ADAM17 52/4885NPC1 1104/4885RAB9A 3788/4885

“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.