SCHEMBL4130799

SCHEMBL4130799

COC(=O)C1c2c(cnn2CCc2ccccc2)C2CN1C(=O)N2OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
KCNA5 P22460 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL4130795 1.00 POLB (0.35) POLBNPC1TP53RAB9AKCNA5
SCHEMBL22030701 0.94 KCNA5 (0.33) POLBNPC1TP53RAB9AKCNA5
SCHEMBL4695537 0.92 KCNA5 (0.34) POLBNPC1TP53RAB9AKCNA5
SCHEMBL4695546 0.92 KCNA5 (0.34) POLBNPC1TP53RAB9AKCNA5
SCHEMBL4695543 0.92 KCNA5 (0.34) POLBNPC1TP53RAB9AKCNA5
SCHEMBL5185334 0.91 KCNA5 (0.33) POLBNPC1TP53RAB9AKCNA5
SCHEMBL4697841 0.91 KCNA5 (0.32) POLBNPC1TP53RAB9AKCNA5
SCHEMBL4697845 0.91 KCNA5 (0.32) POLBNPC1TP53RAB9AKCNA5
SCHEMBL4143839 0.90 POLB (0.35) POLBNPC1TP53RAB9AL3MBTL1
SCHEMBL22030488 0.89 ACHE (0.36) POLBNPC1TP53RAB9AKCNA5

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 387/4885NPC1 1736/4885TP53 4654/4885
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 319/4885NPC1 2035/4885TP53 4700/4885

“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.