SCHEMBL21783133

SCHEMBL21783133

CCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)cc2)NC1=S

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.68
▸ MAPT P10636 4/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ PPARG P37231 3/20 0.59
▸ LMNA P02545 3/20 0.54
▸ PSMB5 P28074 1/20 0.54
▸ IDH1 O75874 2/20 0.52
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MCOLN3 Q8TDD5 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GAA P10253 3/20 0.47
▸ POLB P06746 1/20 0.46
▸ IDE P14735 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ AKR1B1 P15121 2/20 0.45

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
SCHEMBL21783132 0.90 ALDH1A1 (0.82) ALDH1A1MAPTMAPK1PPARGLMNA
SCHEMBL20534419 0.87 ALDH1A1 (0.63) ALDH1A1MAPTMAPK1LMNAPSMB5
SCHEMBL20534342 0.87 ALDH1A1 (0.63) ALDH1A1MAPTMAPK1LMNAPSMB5
SCHEMBL20534417 0.87 ALDH1A1 (0.63) ALDH1A1MAPTMAPK1LMNAPSMB5
SCHEMBL9682018 0.81 ALDH1A1 (0.67) ALDH1A1MAPTMAPK1PPARGLMNA
SCHEMBL9682014 0.81 ALDH1A1 (0.67) ALDH1A1MAPTMAPK1PPARGLMNA
SCHEMBL16536031 0.78 ALDH1A1 (0.77) ALDH1A1MAPTMAPK1PPARGLMNA
SCHEMBL16536033 0.78 ALDH1A1 (0.77) ALDH1A1MAPTMAPK1PPARGLMNA
SCHEMBL21783156 0.77 PPARG (0.79) ALDH1A1MAPTMAPK1PPARGMEN1
SCHEMBL20534545 0.76 ALDH1A1 (0.79) ALDH1A1MAPTLMNAPSMB5GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2020-03-05 — — US disclosed
CN-110621315-A Heterocyclic inhibitors of lysine biosynthesis via the diaminopimelic acid pathway 拉筹伯大学 2019-12-27 — — CN 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 (1 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-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY DDC, ODC1, DDT ALDH1A1 461/4885MAPT 3729/4885MAPK1 463/4885

“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.

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