SCHEMBL17905167

SCHEMBL17905167

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Oc2ccc(C)cc2)C2CCCC2)c1OCOC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ XBP1 P17861 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MAPK9 P45984 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ THRB P10828 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
SCHEMBL17905137 0.93 APLNR (0.33) MAPT
SCHEMBL17905144 0.93 MAPT (0.33) NR3C1MAPTRAB9A
SCHEMBL17905438 0.93 ALDH1A1 (0.33) MAPTRAB9A
SCHEMBL17905135 0.92 RAB9A (0.33) MAPTRAB9AHPGD
SCHEMBL17905149 0.91 XBP1 (0.35) XBP1TDP1NR3C1MAPTNPC1
SCHEMBL21440902 0.90 MTNR1A (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL17905136 0.89 NPC1 (0.35) TDP1MAPTNPC1RAB9AHPGD
SCHEMBL20682788 0.88 ALDH1A1 (0.33) MAPTRAB9A
SCHEMBL17901273 0.88 ALDH1A1 (0.33) MAPTRAB9A
SCHEMBL17901181 0.88 ALDH1A1 (0.33) MAPTRAB9A

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-2016109289-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109288-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 (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 XBP1 2472/4885TDP1 1756/4885NR3C1 3759/4885

“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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