Sugi Predict

Sugi Predict / Compounds / SCHEMBL4151415

SCHEMBL4151415

SCHEMBL4151415

NC(=O)[C@@H]1c2c(cnn2-c2ccccc2)[C@@H]2CN1C(=O)N2OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SLC9A1 P19634 1/20 0.36
▸ SLC9A2 Q9UBY0 1/20 0.36
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ACHE P22303 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KCNA5 P22460 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 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
SCHEMBL4151419 1.00 TSHR (0.36) TSHRMAPK1RAB9ASLC9A1SLC9A2
SCHEMBL4151420 1.00 TSHR (0.36) TSHRMAPK1RAB9ASLC9A1SLC9A2
SCHEMBL4142823 0.92 TSHR (0.37) TSHRMAPK1RAB9ASLC9A1SLC9A2
SCHEMBL4142821 0.92 TSHR (0.37) TSHRMAPK1RAB9ASLC9A1SLC9A2
SCHEMBL4142813 0.92 TSHR (0.37) TSHRMAPK1RAB9ASLC9A1SLC9A2
SCHEMBL4133925 0.89 ACHE (0.38) TSHRMAPK1RAB9AKEAP1NFE2L2
SCHEMBL4133923 0.89 ACHE (0.38) TSHRMAPK1RAB9AKEAP1NFE2L2
SCHEMBL4133919 0.89 ACHE (0.38) TSHRMAPK1RAB9AKEAP1NFE2L2
SCHEMBL4138433 0.86 SLC9A1 (0.38) MAPK1SLC9A1SLC9A2KEAP1NFE2L2
SCHEMBL4138435 0.84 SLC9A1 (0.37) SLC9A1SLC9A2KEAP1NFE2L2NPC1

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 TSHR 4594/4885MAPK1 2739/4885RAB9A 1688/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI TSHR 4591/4885MAPK1 3198/4885RAB9A 1597/4885

“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.