SCHEMBL2884728

SCHEMBL2884728

COc1ccc([N+](=O)[O-])cc1[C@@]1(C)N=C(NC(=O)OC(C)(C)C)N(C)C(=O)C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.42
GNRHR P30968 1/20 0.41
HTT P42858 3/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MAPT P10636 4/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
DRD2 P14416 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2884730 1.00 BACE1 (0.42) BACE1GNRHRHTTPKMKMT2A
SCHEMBL287035 0.88 BACE2 (0.44) BACE1HTTALDH1A1DRD2GAA
SCHEMBL287036 0.88 BACE2 (0.44) BACE1HTTALDH1A1DRD2GAA
SCHEMBL569176 0.82 SMN1; SMN2 (0.43) BACE1HTTKMT2AMEN1ALDH1A1
SCHEMBL569175 0.82 SMN1; SMN2 (0.43) BACE1HTTKMT2AMEN1ALDH1A1
SCHEMBL569376 0.75 BACE1 (0.51) BACE1
SCHEMBL569377 0.75 BACE1 (0.51) BACE1
SCHEMBL15976459 0.74 BACE1 (0.47) BACE1GNRHRALDH1A1MAPTDRD2
SCHEMBL287610 0.74 BACE1 (0.44) BACE1POLBMAPK1
SCHEMBL568040 0.74 BACE1 (0.56) 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 2 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
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 BACE1 2/4885GNRHR 3894/4885HTT 1741/4885

“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.