SCHEMBL21720873

SCHEMBL21720873

CCCCCCCC(C)(CCCC)n1nc(C(F)(F)F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
ALPL P05186 3/20 0.32
ALPI P09923 3/20 0.32
PTGS2 P35354 1/20 0.32
ASAH1 Q13510 1/20 0.32
LMNA P02545 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
SCHEMBL21719262 0.84 LMNA (0.39) ALPLALPIPTGS2ASAH1LMNA
SCHEMBL21721089 0.84 ALPL (0.32) ALPLALPIPTGS2ASAH1LMNA
SCHEMBL21719840 0.84 CNR2 (0.31) GABRA2GABRB2
SCHEMBL21720883 0.83 ALPL (0.32) ALPLALPIASAH1LMNA
SCHEMBL21720887 0.83 ALPL (0.32) ALPLALPIASAH1LMNA
SCHEMBL21720011 0.81 CNR2 (0.33) ASAH1
SCHEMBL21720939 0.81 KDM4E (0.36) ALPLALPIPTGS2ASAH1
SCHEMBL21719046 0.80
SCHEMBL21720759 0.78 ASAH1 (0.36) GABRA2GABRB2ASAH1
SCHEMBL21720871 0.73 PTGS2 (0.37) GABRA2GABRB2PTGS2LMNA

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 GABRA2 2309/4885GABRB2 2694/4885ALPL 3531/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK GABRA2 2309/4885GABRB2 2694/4885ALPL 3531/4885

“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.