SCHEMBL296639

SCHEMBL296639

CCC1(c2cccc([N+](=O)[O-])c2)CC(=O)N(C)C(NC(=O)OC(C)(C)C)=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ALOX5 P09917 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
BACE1 P56817 3/20 0.39
LMNA P02545 1/20 0.36
NR3C2 P08235 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA6 Q16445 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
SCHEMBL296638 1.00 MAPT (0.42) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL568651 0.93 MAPT (0.41) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL568652 0.93 MAPT (0.41) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL299252 0.87 MAPT (0.45) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL299253 0.87 MAPT (0.45) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL287445 0.85 BACE1 (0.41) BACE1HCRTR1HCRTR2
SCHEMBL287446 0.85 BACE1 (0.41) BACE1HCRTR1HCRTR2
SCHEMBL298567 0.80 MAPT (0.43) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL298566 0.80 MAPT (0.43) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL569176 0.79 SMN1; SMN2 (0.43) MAPTSMN1; SMN2ALOX5NPC1RAB9A

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 143/4885SMN1; SMN2 663/4885ALOX5 4660/4885

“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.