SCHEMBL21721086

SCHEMBL21721086

CC(C)(C)n1nc(C(F)(F)F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TGFBR1 P36897 1/20 0.35
PTGS1 P23219 4/20 0.33
SCN9A Q15858 2/20 0.32
PTGS2 P35354 4/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 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
SCHEMBL9892426 0.79 KDM4E (0.40) KDM4ELMNATGFBR1HSP90AA1HSP90AB1
SCHEMBL13698759 0.79 KDM4E (0.38) KDM4ELMNATGFBR1PTGS1SCN9A
SCHEMBL13698758 0.78 KDM4E (0.35) KDM4ELMNATGFBR1PTGS1PTGS2
SCHEMBL21720880 0.78 KDM4E (0.35) KDM4ELMNATGFBR1PTGS1PTGS2
SCHEMBL17045543 0.78 HSP90AA1 (0.37) KDM4ELMNATGFBR1PTGS1PTGS2
SCHEMBL940746 0.78 TGFBR1 (0.37) KDM4ELMNATGFBR1PTGS1PTGS2
SCHEMBL21720871 0.78 PTGS2 (0.37) KDM4ELMNATGFBR1PTGS1PTGS2
SCHEMBL3383824 0.76 KDM4E (0.47) KDM4ETGFBR1PTGS1PTGS2PSEN1
SCHEMBL21719830 0.76
SCHEMBL21719846 0.74 ATM (0.39) KDM4E

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 KDM4E 595/4885LMNA 2672/4885TGFBR1 1987/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK KDM4E 595/4885LMNA 2672/4885TGFBR1 1987/4885

“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.