SCHEMBL287072

SCHEMBL287072

COC(=O)CC(C)(N)c1cncc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 5/20 0.36
GLA P06280 2/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PTGS2 P35354 1/20 0.34
HPGD P15428 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
SCHEMBL287071 1.00 CYP2C19 (0.39) CYP2C19POLBMAPTALDH1A1GLA
SCHEMBL287287 0.81 MEN1 (0.50) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL287286 0.81 MEN1 (0.50) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL27868928 0.79 POLB (0.39) CYP2C19POLBMAPTALDH1A1GLA
SCHEMBL287225 0.76 ALDH1A1 (0.36) CYP2C19POLBMAPTALDH1A1GLA
SCHEMBL27851967 0.76 POLB (0.37) CYP2C19POLBMAPTALDH1A1GLA
SCHEMBL287223 0.76 ALDH1A1 (0.36) CYP2C19POLBMAPTALDH1A1GLA
SCHEMBL287224 0.76 ALDH1A1 (0.36) CYP2C19POLBMAPTALDH1A1GLA
SCHEMBL17239860 0.72 SMN1; SMN2 (0.43) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL27851968 0.71 ALDH1A1 (0.39) CYP2C19POLBMAPTALDH1A1MEN1

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 CYP2C19 415/4885POLB 3301/4885MAPT 143/4885

“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.