SCHEMBL17904775

SCHEMBL17904775

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Oc2ccc(C)cc2)C2CCCC2)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDGFRA P16234 2/20 0.31
▸ KIT P10721 1/20 0.31
▸ KDR P35968 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ AURKA O14965 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ MET P08581 1/20 0.31

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
SCHEMBL17905666 0.96 XBP1 (0.34) NR3C1SMN1; SMN2NPC1RAB9AXBP1
SCHEMBL17905093 0.92 RAB9A (0.35) SMN1; SMN2NPC1RAB9AHPGDLMNA
SCHEMBL17905151 0.92 SMN1; SMN2 (0.33) SMN1; SMN2NPC1RAB9AHPGDLMNA
SCHEMBL19910872 0.92 NR3C1 (0.32) NR3C1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL17904858 0.92 ALDH1A1 (0.36) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL17905086 0.91 ALDH1A1 (0.35) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL17905632 0.89 KMT2A (0.38) SMN1; SMN2NPC1RAB9AHPGDTP53
SCHEMBL17905551 0.89 ALDH1A1 (0.34) SMN1; SMN2TDP1MAPTALDH1A1L3MBTL1
SCHEMBL17905149 0.88 XBP1 (0.35) NR3C1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL17896165 0.88 NPC1 (0.36) NPC1RAB9ALMNATHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 — — EP disclosed
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 NR3C1 3759/4885SMN1; SMN2 2463/4885NPC1 1093/4885

“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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