SCHEMBL21719950

SCHEMBL21719950

Cn1nc(C(C)(C)C)cc1F

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
GRN P28799 1/20 0.50
SORT1 Q99523 1/20 0.50
MAPK14 Q16539 10/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
CNR2 P34972 1/20 0.34

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
SCHEMBL938217 0.82 RAB9A (0.40) KDM4ELMNA
SCHEMBL26275310 0.76 KDM4E (0.48) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL422069 0.74 KDM4E (0.52) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL821308 0.74 KDM4E (0.52) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL10221896 0.74 KDM4E (0.47) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL21653347 0.73 GRN (0.50) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL432964 0.73 KDM4E (0.50) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL21719732 0.73 KDM4E (0.50) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL15730590 0.73 KDM4E (0.50) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL8932286 0.73 KDM4E (0.55) KDM4EGRNSORT1MAPK14MAPT

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 595/4885GRN 2880/4885SORT1 3375/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK KDM4E 595/4885GRN 2880/4885SORT1 3375/4885

“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.