SCHEMBL21721073

SCHEMBL21721073

COc1nn(C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.34
SLC22A12 Q96S37 1/20 0.31
ACHE P22303 1/20 0.31
NFE2L2 Q16236 2/20 0.31
RIPK1 Q13546 1/20 0.30
AURKA O14965 1/20 0.30
KDR P35968 1/20 0.30
AURKB Q96GD4 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
SCHEMBL21166075 0.77 LRRK2 (0.32)
SCHEMBL21720897 0.76 LRRK2 (0.35)
SCHEMBL21719203 0.75 PDK2 (0.31)
SCHEMBL21720824 0.75 PDK2 (0.31)
SCHEMBL21720827 0.75
SCHEMBL21721141 0.75 MAPT (0.30)
SCHEMBL21718855 0.75
SCHEMBL21719213 0.73 PDK2 (0.30)
SCHEMBL21720876 0.73 LRRK2 (0.33)
SCHEMBL21718854 0.73

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 F2RL3 1862/4885SLC22A12 3178/4885ACHE 331/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK F2RL3 1862/4885SLC22A12 3178/4885ACHE 331/4885

“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.