SCHEMBL287262

SCHEMBL287262

CCC(N)(CC(=O)OC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.44
PTPRC P08575 1/20 0.44
TSHR P16473 5/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HIF1A Q16665 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 2/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL287261 1.00 MEN1 (0.48) MEN1KMT2AALDH1A1POLBPTPRC
SCHEMBL569101 0.91 MEN1 (0.47) MEN1KMT2AALDH1A1POLBPTPRC
SCHEMBL569100 0.91 MEN1 (0.47) MEN1KMT2AALDH1A1POLBPTPRC
SCHEMBL287286 0.85 MEN1 (0.50) MEN1KMT2AALDH1A1POLBPTPRC
SCHEMBL287287 0.85 MEN1 (0.50) MEN1KMT2AALDH1A1POLBPTPRC
SCHEMBL6654242 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1POLBPTPRC
SCHEMBL16971173 0.79 MEN1 (0.49) MEN1KMT2AALDH1A1POLBPTPRC
SCHEMBL1977965 0.78 ALDH1A1 (0.48) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL1977963 0.78 ALDH1A1 (0.48) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL28100640 0.78 KCNN4 (0.44) MEN1KMT2AALDH1A1POLBTSHR

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 MEN1 1568/4885KMT2A 3692/4885ALDH1A1 563/4885

“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.