SCHEMBL17901273

SCHEMBL17901273

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C2CCCC2)[C@H](C)Oc2ccccc2)c1OCOC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CTSA P10619 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ MET P08581 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
SCHEMBL17901181 1.00 ALDH1A1 (0.33) ALDH1A1MEN1MAPK1KMT2ACTSA
SCHEMBL20682788 1.00 ALDH1A1 (0.33) ALDH1A1MEN1MAPK1KMT2ACTSA
SCHEMBL17901336 0.99 RAB9A (0.33) ALDH1A1MEN1MAPK1KMT2ACTSA
SCHEMBL20682946 0.99 RAB9A (0.33) ALDH1A1MEN1MAPK1KMT2ACTSA
SCHEMBL17901339 0.99 RAB9A (0.33) ALDH1A1MEN1MAPK1KMT2ACTSA
SCHEMBL17901003 0.97 CTSA (0.32) ALDH1A1CTSAL3MBTL1MAPTAXL
SCHEMBL17905438 0.95 ALDH1A1 (0.33) ALDH1A1MEN1MAPK1KMT2ACTSA
SCHEMBL17905135 0.95 RAB9A (0.33) ALDH1A1MEN1MAPK1KMT2ACTSA
SCHEMBL17900991 0.91 ALDH1A1 (0.33) ALDH1A1MEN1MAPK1KMT2AL3MBTL1
SCHEMBL20682950 0.91 ALDH1A1 (0.33) ALDH1A1MEN1MAPK1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240419-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-06 — — EP disclosed
US-10188109-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-29 — — US disclosed
US-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2017-12-21 — — US disclosed
WO-2016109302-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109303-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — 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 (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-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 ALDH1A1 1350/4885MEN1 2200/4885MAPK1 3589/4885
US-10188109-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 ALDH1A1 1350/4885MEN1 2200/4885MAPK1 3589/4885

“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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