SCHEMBL21719491

SCHEMBL21719491

CCCCCCC(C)(CCCCC)c1nn(C)cc1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.35
CNR1 P21554 5/20 0.35
TLR8 Q9NR97 1/20 0.32
ICMT O60725 2/20 0.31
KDR P35968 5/20 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
SCHEMBL21718601 0.83 CNR2 (0.38) CNR2CNR1KDR
SCHEMBL26853623 0.83 CNR2 (0.38) CNR2CNR1KDR
SCHEMBL21719492 0.81 CNR2 (0.37) CNR2CNR1KDR
SCHEMBL21719698 0.81 CNR2 (0.35) CNR2CNR1KDR
SCHEMBL21718600 0.81 CNR2 (0.35) CNR2CNR1KDR
SCHEMBL21721431 0.79 GAA (0.34) CNR2CNR1TLR8
SCHEMBL21719747 0.79 CNR2 (0.43) CNR2CNR1TLR8
SCHEMBL21719965 0.78 CNR2 (0.35) CNR2CNR1KDR
SCHEMBL26386945 0.77 CNR2 (0.33) CNR2CNR1TLR8
SCHEMBL21719601 0.74

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CNR2 2191/4885CNR1 1509/4885TLR8 4249/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CNR2 2191/4885CNR1 1509/4885TLR8 4249/4885

“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.