SCHEMBL5186998

SCHEMBL5186998

COC(=O)C1c2c(cnn2C)C(=O)CN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.31
HIF1A Q16665 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL5253340 0.87 PLK1 (0.36) PLK1CSNK2A1PLK3
SCHEMBL20557398 0.84 ELANE (0.38)
SCHEMBL5185446 0.74 KDM4E (0.34) KDM4EALDH1A1BRD4
SCHEMBL20557736 0.74 ELANE (0.39)
SCHEMBL5185468 0.72 TACR1 (0.39) KDM4EALDH1A1CYP1A2
SCHEMBL5186929 0.70 BUB1 (0.32) ALDH1A1
SCHEMBL22030487 0.69 PTPN1 (0.34) CYP1A2
SCHEMBL26122123 0.64 CYP1A2 (0.31) CYP1A2HIF1A
SCHEMBL5258807 0.63 PLK1 (0.50) PLK1CSNK2A1PLK3HIF1ABRD4
SCHEMBL28923061 0.63 PDK2 (0.35)

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 PLK1 3673/4885CSNK2A1 2316/4885PLK3 4636/4885

“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.