SCHEMBL17905136

SCHEMBL17905136

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Oc2ccc(C)cc2Cl)C2CCCC2)c1OCOC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TAS1R3 Q7RTX0 2/20 0.32
▸ TAS1R1 Q7RTX1 2/20 0.32
▸ HPGD P15428 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL17905434 0.94 NPC1 (0.34) NPC1RAB9AKDM4ELMNATP53
SCHEMBL17905239 0.89 IDO1 (0.34) NPC1RAB9AKDM4ELMNATHRB
SCHEMBL17905167 0.89 XBP1 (0.32) NPC1RAB9ALMNATHRBMAPT
SCHEMBL17904776 0.87 NPC1 (0.36) NPC1RAB9AKDM4ECNR1CNR2
SCHEMBL17896165 0.87 NPC1 (0.36) NPC1RAB9AKDM4ECNR1CNR2
SCHEMBL17905144 0.87 MAPT (0.33) RAB9ATP53MAPTIDO1
SCHEMBL17896210 0.86 HTT (0.36) L3MBTL1HPGDALDH1A1MEN1POLB
SCHEMBL17904981 0.86 HTT (0.36) L3MBTL1HPGDALDH1A1MEN1POLB
SCHEMBL17904894 0.85 SMN1; SMN2 (0.34) NPC1RAB9ALMNATP53MAPT
SCHEMBL21440902 0.85 MTNR1A (0.35) NPC1RAB9ATP53ALDH1A1SMN1; SMN2

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-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 NPC1 1093/4885RAB9A 3281/4885KDM4E 2492/4885

“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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