SCHEMBL17905249

SCHEMBL17905249

C[C@H](N)C(=O)O[C@@H](C)COC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.35
▸ IDO1 P14902 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL16181835 0.74 GRIN2D (0.35) LMNACYP1A2CYP2D6MAPT
Bicarbonate SCHEMBL6550780 0.74 EPHX1 (0.37) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL17905217 0.73 SLC1A3 (0.37) CTSK
SCHEMBL17904800 0.73 KMT2A (0.42) CTSKCYP2D6EPHX1MEN1HTT
SCHEMBL723290 0.72 CYP19A1 (0.47) CYP2D6CYP19A1EPHX1HTT
SCHEMBL159982 0.72 CYP19A1 (0.47) CYP2D6CYP19A1EPHX1HTT
SCHEMBL16553945 0.72 CHRNB2 (0.34) LMNACYP1A2CYP2D6MAPTKDM4E
SCHEMBL16553947 0.72 CHRNB2 (0.34) LMNACYP1A2CYP2D6MAPTKDM4E
SCHEMBL13543466 0.72 CYP19A1 (0.47) CYP2D6CYP19A1EPHX1HTT
SCHEMBL16553944 0.72 CHRNB2 (0.34) LMNACYP1A2CYP2D6MAPTKDM4E

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 CTSK 2808/4885IDO1 1393/4885LMNA 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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