SCHEMBL17905086

SCHEMBL17905086

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Oc2ccccc2)C2CCCCC2)c1O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ MET P08581 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ CTSA P10619 1/20 0.32
▸ HTT P42858 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
SCHEMBL17904858 0.99 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPK1NPSR1
SCHEMBL17905551 0.96 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ANPSR1L3MBTL1
SCHEMBL20682906 0.95 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AMAPK1NPSR1
SCHEMBL17901156 0.95 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AMAPK1NPSR1
SCHEMBL17901158 0.95 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AMAPK1NPSR1
SCHEMBL17901266 0.94 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPK1NPSR1
SCHEMBL17901254 0.94 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPK1NPSR1
SCHEMBL20682896 0.94 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPK1NPSR1
SCHEMBL17905632 0.92 KMT2A (0.38) ALDH1A1MEN1KMT2AMAPK1RAB9A
SCHEMBL17904775 0.91 NR3C1 (0.34) ALDH1A1MEN1KMT2ANPSR1RAB9A

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-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 — — US disclosed
WO-2016109288-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109289-A1 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 (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-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 ALDH1A1 1350/4885MEN1 2200/4885KMT2A 3102/4885

“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.

Send feedback