SCHEMBL4131485

SCHEMBL4131485

COC(=O)[C@@H]1c2c(cnn2C(N)=O)[C@@H]2CN1C(=O)N2OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.33
POLB P06746 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CPB1 P15086 1/20 0.32
FKBP1A P62942 2/20 0.31
NPC1 O15118 3/20 0.30
RAB9A P51151 3/20 0.30
TP53 P04637 1/20 0.30
ACHE P22303 1/20 0.30
PDE4B Q07343 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4131495 1.00 KCNA5 (0.33) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4131490 1.00 KCNA5 (0.33) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4696891 0.91 KCNA5 (0.33) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4696887 0.91 KCNA5 (0.33) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4155710 0.89 ALDH1A1 (0.35) KCNA5CYP2C19FKBP1ASMN1; SMN2
SCHEMBL4155704 0.89 ALDH1A1 (0.35) KCNA5CYP2C19FKBP1ASMN1; SMN2
SCHEMBL4155701 0.89 ALDH1A1 (0.35) KCNA5CYP2C19FKBP1ASMN1; SMN2
SCHEMBL22030488 0.88 ACHE (0.36) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4695537 0.87 KCNA5 (0.34) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4695543 0.87 KCNA5 (0.34) KCNA5POLBCYP3A4CYP2C9CYP2C19

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 KCNA5 2077/4885POLB 387/4885CYP3A4 559/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI KCNA5 1995/4885POLB 319/4885CYP3A4 568/4885

“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.