SCHEMBL298566

SCHEMBL298566

CCN1C(=O)C[C@@](C)(c2cccc([N+](=O)[O-])c2)N=C1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
NR3C2 P08235 1/20 0.36
BACE1 P56817 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
BCL2 P10415 1/20 0.34
BECN1 Q14457 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
SCHEMBL298567 1.00 MAPT (0.43) MAPTALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL299178 0.91 MAPT (0.40) MAPTALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL299179 0.91 MAPT (0.40) MAPTALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL568706 0.91 MAPT (0.40) MAPTALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL299253 0.89 MAPT (0.45) MAPTALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL299252 0.89 MAPT (0.45) MAPTALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL287406 0.86 BACE1 (0.40) BACE1BACE2
SCHEMBL287405 0.86 BACE1 (0.40) BACE1BACE2
SCHEMBL296639 0.80 MAPT (0.42) MAPTALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL296638 0.80 MAPT (0.42) MAPTALOX5SMN1; SMN2NPC1RAB9A

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
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 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-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 MAPT 143/4885ALOX5 4660/4885SMN1; SMN2 663/4885

“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.