SCHEMBL17904776

SCHEMBL17904776

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Oc2ccc(C)cc2Cl)C2CCCC2)c1O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TAS1R3 Q7RTX0 3/20 0.34
▸ TAS1R1 Q7RTX1 3/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ PDE4D Q08499 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 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
SCHEMBL17896165 1.00 NPC1 (0.36) NPC1RAB9ALMNATHRBKDM4E
SCHEMBL17905545 0.97 IDO1 (0.35) NPC1RAB9ALMNATHRBKDM4E
SCHEMBL17905461 0.93 SMN1; SMN2 (0.36) NPC1RAB9ALMNAKDM4ETP53
SCHEMBL17904775 0.88 NR3C1 (0.34) NPC1RAB9ALMNATHRBTP53
SCHEMBL17905136 0.87 NPC1 (0.35) NPC1RAB9ALMNATHRBKDM4E
SCHEMBL17905239 0.86 IDO1 (0.34) NPC1RAB9ALMNATHRBKDM4E
SCHEMBL17905093 0.85 RAB9A (0.35) NPC1RAB9ALMNATP53MAPT
SCHEMBL17896206 0.85 HTT (0.37) LMNATP53L3MBTL1KMT2A
SCHEMBL17904980 0.85 HTT (0.37) LMNATP53L3MBTL1KMT2A
SCHEMBL17905666 0.84 XBP1 (0.34) NPC1RAB9ALMNAMAPTKMT2A

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 NPC1 1093/4885RAB9A 3281/4885LMNA 3069/4885

“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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