Sugi Predict

Sugi Predict / Compounds / SCHEMBL4133923

SCHEMBL4133923

SCHEMBL4133923

COC(=O)C1c2c(cnn2-c2ccccc2)[C@H]2CN1C(=O)N2OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.38
▸ MAPK14 Q16539 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KCNA5 P22460 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL4133919 1.00 ACHE (0.38) ACHEMAPK14MAPK1TSHRRAB9A
SCHEMBL4133925 1.00 ACHE (0.38) ACHEMAPK14MAPK1TSHRRAB9A
SCHEMBL4142823 0.91 TSHR (0.37) ACHEMAPK14MAPK1TSHRRAB9A
SCHEMBL4142813 0.91 TSHR (0.37) ACHEMAPK14MAPK1TSHRRAB9A
SCHEMBL4142821 0.91 TSHR (0.37) ACHEMAPK14MAPK1TSHRRAB9A
SCHEMBL22030488 0.89 ACHE (0.36) ACHERAB9ALMNAALDH1A1HSD17B10
SCHEMBL4151419 0.89 TSHR (0.36) ACHEMAPK14MAPK1TSHRRAB9A
SCHEMBL4151420 0.89 TSHR (0.36) ACHEMAPK14MAPK1TSHRRAB9A
SCHEMBL4151415 0.89 TSHR (0.36) ACHEMAPK14MAPK1TSHRRAB9A
SCHEMBL4695537 0.88 KCNA5 (0.34) ACHETSHRRAB9ALMNAKCNA5

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 ACHE 101/4885MAPK14 3643/4885MAPK1 2739/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI ACHE 82/4885MAPK14 3592/4885MAPK1 3198/4885

“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.