SCHEMBL21349158

SCHEMBL21349158

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@H](C)[C@H](C)C2CCCC2)c1OC(=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.30
▸ KIT P10721 1/20 0.30
▸ PDGFRA P16234 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MCOLN3 Q8TDD5 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL21339059 1.00 ALDH1A1 (0.34) ALDH1A1NPSR1PDE4APDE4BPDE4C
SCHEMBL21339293 1.00 ALDH1A1 (0.34) ALDH1A1NPSR1PDE4APDE4BPDE4C
SCHEMBL21339189 0.92 ALDH1A1 (0.34) ALDH1A1NPSR1PDE4APDE4BPDE4C
SCHEMBL21338931 0.92 ALDH1A1 (0.34) ALDH1A1NPSR1PDE4APDE4BPDE4C
SCHEMBL21338935 0.92 ALDH1A1 (0.34) ALDH1A1NPSR1PDE4APDE4BPDE4C
SCHEMBL21338917 0.86 ALDH1A1 (0.36) ALDH1A1NPSR1PDE4APDE4BPDE4C
SCHEMBL21338918 0.86 ALDH1A1 (0.36) ALDH1A1NPSR1PDE4APDE4BPDE4C
SCHEMBL21339276 0.86 ALDH1A1 (0.36) ALDH1A1NPSR1PDE4APDE4BPDE4C
SCHEMBL25021283 0.84 ALDH1A1 (0.33) ALDH1A1NPSR1SMN1; SMN2GSK3AGSK3B
SCHEMBL21339315 0.84 ALDH1A1 (0.33) ALDH1A1NPSR1SMN1; SMN2GSK3AGSK3B

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-20230049481-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2023-02-16 — — US disclosed
WO-2019173665-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2019-09-12 — — WO 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-20230049481-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 ALDH1A1 1130/4885NPSR1 1327/4885PDE4A 2004/4885

“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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