SCHEMBL4134352

SCHEMBL4134352

C=CCO/N=C1\CN(C(=O)OC(C)(C)C)Cc2c1cnn2-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
POLB P06746 2/20 0.42
TP53 P04637 8/20 0.42
THRB P10828 3/20 0.42
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL4693156 0.89 MEN1 (0.38) LMNAPOLBMAPTMEN1HPGD
SCHEMBL5187314 0.84 ELANE (0.36) GPR119
SCHEMBL5187312 0.84 ELANE (0.36) GPR119
SCHEMBL4138894 0.80 POLB (0.49) LMNAPOLBTP53THRBMAPT
SCHEMBL4143859 0.78 LMNA (0.35) LMNATP53THRBMAPTTDP1
SCHEMBL4143855 0.78 LMNA (0.35) LMNATP53THRBMAPTTDP1
SCHEMBL4142491 0.78 KDM1A (0.38) LMNATP53MAPTGPR119
SCHEMBL4142495 0.78 KDM1A (0.38) LMNATP53MAPTGPR119
SCHEMBL19376747 0.76 PDK2 (0.55) LMNAPOLBTP53THRBMAPT
SCHEMBL5260871 0.74 CHRM2 (0.31)

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 LMNA 641/4885POLB 387/4885TP53 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 LMNA 529/4885POLB 319/4885TP53 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.