SCHEMBL17905666

SCHEMBL17905666

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Oc2ccc(C)cc2)C2CC2)c1O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ XBP1 P17861 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ KDR P35968 2/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ADAMTS5 Q9UNA0 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ AHR P35869 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MAPK9 P45984 1/20 0.30
▸ NR3C1 P04150 1/20 0.30
▸ SCN5A Q14524 1/20 0.30
▸ SCN2A Q99250 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
SCHEMBL17904775 0.96 NR3C1 (0.34) XBP1TDP1MAPTKDRPDGFRA
SCHEMBL17905551 0.92 ALDH1A1 (0.34) TDP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL17905151 0.89 SMN1; SMN2 (0.33) MAPTKDRPDGFRALMNANPC1
SCHEMBL17905674 0.89 GRM4 (0.35) TDP1MAPTLMNAMEN1KMT2A
SCHEMBL19910872 0.89 NR3C1 (0.32) MAPTKDRPDGFRALMNAMEN1
SCHEMBL17905093 0.89 RAB9A (0.35) MAPTKDRLMNANPC1RAB9A
SCHEMBL17905550 0.89 MTNR1A (0.36) LMNAMEN1KMT2A
SCHEMBL17904858 0.89 ALDH1A1 (0.36) MAPTKDRMEN1KMT2ANPC1
SCHEMBL17905649 0.88 TDP1 (0.35) XBP1TDP1MAPTKDRPDGFRA
SCHEMBL17905086 0.88 ALDH1A1 (0.35) MEN1KMT2ANPC1RAB9ASMN1; 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-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 XBP1 2472/4885TDP1 1756/4885MAPT 1306/4885

“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.

Send feedback