SCHEMBL4139064

SCHEMBL4139064

COC(=O)C1c2nn(C(N)=O)cc2C2CN1C(=O)N2OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNA5 P22460 4/20 0.33
CPB1 P15086 1/20 0.32
NPC1 O15118 3/20 0.30
RAB9A P51151 3/20 0.30
TP53 P04637 1/20 0.30
FKBP1A P62942 1/20 0.30
PDE4B Q07343 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4139057 1.00 POLB (0.34) POLBCYP3A4CYP2C9CYP2C19KCNA5
SCHEMBL4139062 1.00 POLB (0.34) POLBCYP3A4CYP2C9CYP2C19KCNA5
SCHEMBL4697029 0.91 CYP2C19 (0.34) POLBCYP3A4CYP2C9CYP2C19KCNA5
SCHEMBL4697032 0.91 CYP2C19 (0.34) POLBCYP3A4CYP2C9CYP2C19KCNA5
SCHEMBL4697027 0.91 CYP2C19 (0.34) POLBCYP3A4CYP2C9CYP2C19KCNA5
SCHEMBL5187239 0.90 POLB (0.33) POLBCYP3A4CYP2C9CYP2C19KCNA5
SCHEMBL5187214 0.89 CYP2C9 (0.36) POLBCYP3A4CYP2C9CYP2C19KCNA5
SCHEMBL4146982 0.89 ALDH1A1 (0.35) POLBCYP3A4CYP2C9CYP2C19KCNA5
SCHEMBL4146984 0.89 ALDH1A1 (0.35) POLBCYP3A4CYP2C9CYP2C19KCNA5
SCHEMBL4146974 0.89 ALDH1A1 (0.35) POLBCYP3A4CYP2C9CYP2C19KCNA5

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 POLB 387/4885CYP3A4 559/4885CYP2C9 251/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI POLB 319/4885CYP3A4 568/4885CYP2C9 273/4885

“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.