SCHEMBL4860975

SCHEMBL4860975

C=CCONC1CN(C(=O)OC(C)(C)C)Nc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
NAMPT P43490 1/20 0.34
KDM4E B2RXH2 2/20 0.32
IDO1 P14902 1/20 0.32
PKM P14618 1/20 0.32
EPHX2 P34913 1/20 0.32
CYP19A1 P11511 1/20 0.32
TAOK3 Q9H2K8 1/20 0.32
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
STS P08842 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MAPT P10636 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
SCHEMBL4862831 0.91 TDP1 (0.34) MAPK1NAMPTKDM4EIDO1PKM
SCHEMBL4862019 0.84 MEN1 (0.37) MAPK1NAMPTKDM4EIDO1PKM
SCHEMBL5322672 0.76 CASP1 (0.37) MAPK1KDM4EPKMCA1CA2
SCHEMBL5225649 0.73 POLB (0.38) NAMPTKDM4ETAOK3MAPT
SCHEMBL5185621 0.71 NAMPT (0.36) NAMPTKDM4EPKMTAOK3F13A1
SCHEMBL21638910 0.71 KMT2A (0.42) NAMPTKDM4ETAOK3MAPT
SCHEMBL4139917 0.70 LMNA (0.48) MAPT
SCHEMBL5185709 0.69 NAMPT (0.39) MAPK1NAMPTKDM4ETAOK3
SCHEMBL5318595 0.69 NPC1 (0.37) MAPK1IDO1EPHX2MAPT
SCHEMBL4860414 0.69 MAPK1 (0.38) MAPK1NAMPTKDM4ECYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365071-B2 Heterocyclic compounds, preparation process and intermediates, and use as medicaments, in particular as β-lactamase inhibitors and antibacterials AVENTIS PHARMA S.A. (FR) 2008-04-29 US disclosed
US-7365071-B2 Heterocyclic compounds, preparation process and intermediates, and use as medicaments, in particular as β-lactamase inhibitors and antibacterials AVENTIS PHARMA S.A. (FR) 2008-04-29 US disclosed
US-7365071-B2 Heterocyclic compounds, preparation process and intermediates, and use as medicaments, in particular as β-lactamase inhibitors and antibacterials AVENTIS PHARMA S.A. (FR) 2008-04-29 US disclosed
US-20070191312-A1 NOVEL HETEROCYCLIC COMPOUNDS, PREPARATION PROCESS AND INTERMEDIATES, AND USE AS MEDICAMENTS, IN PARTICULAR AS BETA-LACTAMASE INHIBITORS AND ANTIBACTERIALS MUSICKI BRANISLAV 2007-08-16 US disclosed
US-20040097490-A1 Novel heterocyclic compounds, preparation process and intermediates, and use as medicaments, in particular as B-lactamase inhibitors and antibacterials AVENTIS PHARMA S.A. (FR) 2004-05-20 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-20040097490-A1 Novel heterocyclic compounds, preparation process and intermediates, and use as medicaments, in particular as B-lactamase inhibitors and antibacterials GAA, BBOX1, BPGM MAPK1 1623/4885NAMPT 300/4885KDM4E 3117/4885
US-20070191312-A1 NOVEL HETEROCYCLIC COMPOUNDS, PREPARATION PROCESS AND INTERMEDIATES, AND USE AS MEDICAMENTS, IN PARTICULAR AS BETA-LACTAMASE INHIBITORS AND ANTIBACTERIALS GAA, PEPD, MGAM MAPK1 2427/4885NAMPT 315/4885KDM4E 3022/4885

“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.