SCHEMBL287068

SCHEMBL287068

CC[C@@](CC(=O)OC)(N[S+]([O-])C(C)(C)C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
PTPRC P08575 1/20 0.41
ALDH1A1 P00352 6/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 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
SCHEMBL287069 1.00 MEN1 (0.42) MEN1KMT2APTPRCALDH1A1POLB
SCHEMBL287070 1.00 MEN1 (0.42) MEN1KMT2APTPRCALDH1A1POLB
SCHEMBL569219 0.92 MEN1 (0.41) MEN1KMT2APTPRCALDH1A1POLB
SCHEMBL569218 0.92 MEN1 (0.41) MEN1KMT2APTPRCALDH1A1POLB
SCHEMBL569217 0.92 MEN1 (0.41) MEN1KMT2APTPRCALDH1A1POLB
SCHEMBL287233 0.86 MEN1 (0.45) MEN1KMT2APTPRCALDH1A1POLB
SCHEMBL287231 0.86 MEN1 (0.45) MEN1KMT2APTPRCALDH1A1POLB
SCHEMBL287232 0.86 MEN1 (0.45) MEN1KMT2APTPRCALDH1A1POLB
SCHEMBL25400295 0.84 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL1976729 0.81 ALDH1A1 (0.45) MEN1KMT2AALDH1A1POLBMAPT

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 3692/4885PTPRC 1471/4885

“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.