SCHEMBL299055

SCHEMBL299055

CN1C(=O)C[C@@](C)(c2cncc([N+](=O)[O-])c2)N=C1NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.38
MAPT P10636 2/20 0.34
BACE2 Q9Y5Z0 3/20 0.33
CTSD P07339 1/20 0.33
ALOX5 P09917 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCL2 P10415 1/20 0.32
BECN1 Q14457 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
GAA P10253 1/20 0.31
DRD2 P14416 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
SCHEMBL299056 1.00 BACE1 (0.38) BACE1MAPTBACE2CTSDALOX5
SCHEMBL299253 0.87 MAPT (0.45) BACE1MAPTBACE2ALOX5NPC1
SCHEMBL299252 0.87 MAPT (0.45) BACE1MAPTBACE2ALOX5NPC1
SCHEMBL298838 0.85 BACE1 (0.39) BACE1BACE2CTSDGSK3BDYRK1A
SCHEMBL298839 0.85 BACE1 (0.39) BACE1BACE2CTSDGSK3BDYRK1A
SCHEMBL299014 0.80 BACE1 (0.44) BACE1MAPTBACE2CTSDALOX5
SCHEMBL299015 0.80 BACE1 (0.44) BACE1MAPTBACE2CTSDALOX5
SCHEMBL296638 0.76 MAPT (0.42) BACE1MAPTALOX5NPC1RAB9A
SCHEMBL296639 0.76 MAPT (0.42) BACE1MAPTALOX5NPC1RAB9A
SCHEMBL298567 0.76 MAPT (0.43) BACE1MAPTBACE2ALOX5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US disclosed
EP-2427437-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US disclosed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO 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-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 BACE1 2/4885MAPT 143/4885BACE2 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.