SCHEMBL4138426

SCHEMBL4138426

NC(=O)n1ncc2c1CN1CC2N(OCc2ccccc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNA5 P22460 4/20 0.34
F2 P00734 2/20 0.33
F12 P00748 2/20 0.33
DHFR P00374 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PREP P48147 1/20 0.31
RPS6KB1 P23443 1/20 0.31
MCHR1 Q99705 2/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL4130555 0.87 CYP2C19 (0.34) CYP2C19POLBCYP3A4CYP2C9KCNA5
SCHEMBL4143412 0.85 POLB (0.36) CYP2C19POLBCYP3A4CYP2C9KCNA5
SCHEMBL4138908 0.83 LMNA (0.33) CYP2C19POLBCYP3A4CYP2C9KCNA5
SCHEMBL4138429 0.82 KCNA5 (0.34) CYP2C19POLBCYP3A4CYP2C9KCNA5
SCHEMBL4147814 0.82 KCNA5 (0.34) CYP2C19POLBCYP3A4CYP2C9KCNA5
SCHEMBL4143846 0.81 KCNH2 (0.33) CYP2C19POLBCYP3A4CYP2C9KCNA5
SCHEMBL4143332 0.80
SCHEMBL4696171 0.80 KCNA5 (0.33) CYP2C19POLBCYP3A4CYP2C9KCNA5
SCHEMBL4138223 0.80 KCNA5 (0.34) CYP2C19POLBCYP3A4CYP2C9KCNA5
SCHEMBL4152647 0.80 KCNA5 (0.34) CYP2C19POLBCYP3A4CYP2C9KCNA5

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 4 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
EP-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP 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 CYP2C19 119/4885POLB 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 CYP2C19 133/4885POLB 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.