SCHEMBL5185709

SCHEMBL5185709

C=CCONC1CN(C(=O)OC(C)(C)C)Cc2cocc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.39
TAOK3 Q9H2K8 1/20 0.37
HDAC1 Q13547 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ESR2 Q92731 1/20 0.33
NR1H2 P55055 3/20 0.32
MAPK1 P28482 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM1A O60341 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
SCHEMBL5185621 0.81 NAMPT (0.36) NAMPTTAOK3KDM4EGPR119
SCHEMBL5185317 0.80 PREP (0.34) NAMPTTAOK3KDM4EGPR119
SCHEMBL5186984 0.78 BCDIN3D (0.35) NAMPTTAOK3
SCHEMBL5225649 0.77 POLB (0.38) NAMPTTAOK3KDM4EGPR119
SCHEMBL20022741 0.74 NAMPT (0.36) NAMPTKDM4ENR1H2KDM1A
SCHEMBL21638910 0.74 KMT2A (0.42) NAMPTTAOK3KDM4E
SCHEMBL5186966 0.74 PREP (0.34) NAMPTKDM4ENR1H2GPR119
SCHEMBL4139917 0.74 LMNA (0.48)
SCHEMBL18107012 0.73 GLS (0.33) NAMPTKDM4ENR1H2
SCHEMBL21638878 0.72 DTYMK (0.39) NAMPTTAOK3HDAC1KDM4EKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 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-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS NAMPT 229/4885TAOK3 2408/4885HDAC1 1923/4885

“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.