SCHEMBL17429780

SCHEMBL17429780

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nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.33
AOC3 Q16853 1/20 0.33
HTT P42858 1/20 0.33
GCGR P47871 1/20 0.33
KMT2A Q03164 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CPA1 P15085 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 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
SCHEMBL19754017 1.00 TRPA1 (0.50) TRPA1MAOAMAOBSMN1; SMN2HPGD
SCHEMBL19754016 0.83 TRPA1 (0.47) TRPA1MAOAKMT2AMEN1
SCHEMBL19754015 0.83 TRPA1 (0.47) TRPA1MAOAKMT2AMEN1
SCHEMBL19628384 0.77 TRPA1 (0.50) TRPA1MAOAMAOBSMN1; SMN2HPGD
SCHEMBL17417060 0.76 FFAR1 (0.40) MAOBSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL19852656 0.76 FFAR1 (0.40) MAOBSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL17892914 0.76 FFAR1 (0.40) MAOBSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL28610510 0.76 FFAR1 (0.40) MAOBSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL16280734 0.74 TRPA1 (0.46) TRPA1MAOAMAOBSMN1; SMN2AOC3
SCHEMBL17894775 0.74 TRPA1 (0.41) TRPA1MAPK1KMT2ANOS3NOS1

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-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2017-09-28 US disclosed
US-9686984-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-06-27 US disclosed
US-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US 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 (2 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-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 TRPA1 676/4885MAOA 1834/4885MAOB 2013/4885
US-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 TRPA1 676/4885MAOA 1834/4885MAOB 2013/4885

“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.