SCHEMBL7869403

SCHEMBL7869403

Cc1cccc(C(=O)Nc2cccc(C3(c4ccccc4)COC(N)=N3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 11/20 0.55
KCNK9 Q9NPC2 10/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
POLB P06746 1/20 0.55
KCNH2 Q12809 1/20 0.52
RXFP1 Q9HBX9 1/20 0.49
BACE1 P56817 2/20 0.48
NT5E P21589 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 2/20 0.46
FFAR1 O14842 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL2286573 0.87 NPC1 (0.60) KCNK3KCNK9MEN1KMT2APOLB
Formic Acid SCHEMBL2285017 0.84 NPC1 (0.55) KCNK3KCNK9MEN1KMT2APOLB
SCHEMBL259666 0.76 KCNK3 (0.87) KCNK3KCNK9MEN1KMT2APOLB
SCHEMBL30608967 0.76 KCNK3 (0.87) KCNK3KCNK9MEN1KMT2APOLB
SCHEMBL13760913 0.75 NPC1 (0.58) KCNK3KCNK9MEN1KMT2APOLB
SCHEMBL21377436 0.73 KCNK3 (0.68) KCNK3KCNK9MEN1KMT2APOLB
SCHEMBL19491385 0.72 KCNK3 (0.85) KCNK3KCNK9MEN1KMT2APOLB
SCHEMBL13825338 0.72 BACE1 (0.52) BACE1
SCHEMBL4253897 0.71 KCNK3 (0.93) KCNK3KCNK9MEN1KMT2APOLB
SCHEMBL10155223 0.71 BACE1 (0.72) BACE1

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
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 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 KCNK3 2865/4885KCNK9 2891/4885MEN1 346/4885

“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.