SCHEMBL21719581

SCHEMBL21719581

Cn1nc(C(C)(C)C)nc1F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.33
KDM4E B2RXH2 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 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
SCHEMBL25728920 0.74 AOC3 (0.32) AOC3
SCHEMBL20320456 0.73 AOC3 (0.33) AOC3
SCHEMBL17035449 0.73 AOC3 (0.31) AOC3
SCHEMBL25728985 0.73 AOC3 (0.31) AOC3
SCHEMBL24225306 0.71 HRH4 (0.35) AOC3
SCHEMBL21719600 0.71 AOC3 (0.30) AOC3
SCHEMBL6020416 0.71 AOC3 (0.30) AOC3
SCHEMBL21719582 0.71 AOC3 (0.30) AOC3
SCHEMBL23264478 0.71 AOC3 (0.33) AOC3
SCHEMBL25728915 0.70 AOC3 (0.33) AOC3

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 AOC3 684/4885KDM4E 595/4885GRN 2880/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK AOC3 684/4885KDM4E 595/4885GRN 2880/4885

“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.