Sugi Predict

Sugi Predict / Compounds / SCHEMBL4138926

SCHEMBL4138926

SCHEMBL4138926

COC(=O)C1c2c(cnn2-c2ccccc2)C(NOCc2ccccc2)CN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ SLC9A1 P19634 1/20 0.34
▸ SLC9A2 Q9UBY0 1/20 0.34

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
SCHEMBL4695600 0.91 KEAP1 (0.40) KEAP1NFE2L2LMNAACHEKMT2A
SCHEMBL4147781 0.81 KEAP1 (0.41) KEAP1NFE2L2ACHEALDH1A1MAPK1
SCHEMBL5187275 0.81 GPR183 (0.39) ALDH1A1MAPTNPSR1HPGDNPC1
SCHEMBL3305431 0.80 LMNA (0.34) LMNAACHENPC1
Hydrochloric Acid SCHEMBL4145877 0.80 HTT (0.39) KEAP1NFE2L2LMNAACHEKMT2A
SCHEMBL4138221 0.76 GPR183 (0.35) LMNAKMT2AALDH1A1MAPTNPSR1
SCHEMBL4693843 0.75 KEAP1 (0.40) KEAP1NFE2L2LMNAACHEKMT2A
SCHEMBL4133925 0.74 ACHE (0.38) KEAP1NFE2L2LMNAACHEKMT2A
SCHEMBL4133923 0.74 ACHE (0.38) KEAP1NFE2L2LMNAACHEKMT2A
SCHEMBL4133919 0.74 ACHE (0.38) KEAP1NFE2L2LMNAACHEKMT2A

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 KEAP1 1674/4885NFE2L2 2485/4885LMNA 641/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI KEAP1 1829/4885NFE2L2 2540/4885LMNA 529/4885

“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.