SCHEMBL4135218

SCHEMBL4135218

C=CCOc1cccc2c1C(=NOCc1ccccc1)CN(C(=O)O)C2C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AGTR2 P50052 1/20 0.36
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.34
ELANE P08246 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
MAPT P10636 2/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL4135216 1.00 MEN1 (0.37) MEN1KMT2AAGTR2TP53POLB
SCHEMBL4138695 0.91 MEN1 (0.37) MEN1KMT2AAGTR2TP53POLB
SCHEMBL4138694 0.91 MEN1 (0.37) MEN1KMT2AAGTR2TP53POLB
SCHEMBL4695526 0.90 MEN1 (0.36) MEN1KMT2AAGTR2POLBTSHR
SCHEMBL5186308 0.85 KMT2A (0.37) MEN1KMT2AAGTR2TP53POLB
SCHEMBL5186281 0.85 KMT2A (0.37) MEN1KMT2AAGTR2TP53POLB
SCHEMBL4144355 0.84 POLB (0.38) MEN1KMT2AAGTR2POLBMAPT
SCHEMBL4144351 0.84 POLB (0.38) MEN1KMT2AAGTR2POLBMAPT
SCHEMBL4142825 0.81 KMT2A (0.40) MEN1KMT2AAGTR2TP53POLB
SCHEMBL4142826 0.81 KMT2A (0.40) MEN1KMT2AAGTR2TP53POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2009-01-15 US disclosed
US-7439253-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors NOVEXEL (FR) 2008-10-21 US disclosed
US-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors AVENTIS PHARMA S.A. (FR) 2004-08-12 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 (2 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-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors GAA, ALPI, GANAB MEN1 588/4885KMT2A 2499/4885AGTR2 2538/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI MEN1 711/4885KMT2A 2492/4885AGTR2 2473/4885

“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.