SCHEMBL17905545

SCHEMBL17905545

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Oc2ccc(C)cc2Cl)C2CC2)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ SCN9A Q15858 1/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GRM4 Q14833 1/20 0.32
▸ NPC1 O15118 4/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ HTT P42858 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MALT1 Q9UDY8 1/20 0.31
▸ THRB P10828 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
SCHEMBL17904776 0.97 NPC1 (0.36) IDO1TAS1R3TAS1R1KMT2AMAPT
SCHEMBL17896165 0.97 NPC1 (0.36) IDO1TAS1R3TAS1R1KMT2AMAPT
SCHEMBL17905461 0.89 SMN1; SMN2 (0.36) KMT2AMEN1MAPTHPGDNPC1
SCHEMBL17905239 0.89 IDO1 (0.34) IDO1TAS1R3TAS1R1SCN9AKMT2A
SCHEMBL17905666 0.87 XBP1 (0.34) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL17905674 0.87 GRM4 (0.35) IDO1KMT2AMEN1MAPTHPGD
SCHEMBL17900787 0.85 TAS1R3 (0.42) TAS1R3TAS1R1SCN9AKMT2AMEN1
SCHEMBL17905546 0.85 TAS1R3 (0.36) TAS1R3TAS1R1SCN9AKMT2AMEN1
SCHEMBL17900727 0.85 TAS1R3 (0.36) TAS1R3TAS1R1KMT2AMEN1NPC1
SCHEMBL17901163 0.85 TAS1R3 (0.37) TAS1R3TAS1R1SCN9AKMT2AMEN1

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 IDO1 1393/4885TAS1R3 1308/4885TAS1R1 1345/4885

“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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