SCHEMBL21721023

SCHEMBL21721023

COc1cnn(C(C)(C)C)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TRPA1 O75762 1/20 0.31
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 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
SCHEMBL16908721 0.77 TRPA1 (0.34) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL21720726 0.77 ALDH1A1 (0.34) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL21719112 0.75 MGLL (0.32) TRPA1
SCHEMBL21720842 0.75 CYP17A1 (0.33) SMN1; SMN2LMNATRPA1TSHR
SCHEMBL21720613 0.75 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL21720615 0.75 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL21720984 0.75 TRPA1 (0.32) TRPA1
SCHEMBL21720720 0.73 SMN1; SMN2 (0.33) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL21719113 0.73 TRPA1 (0.32) TRPA1RAB9A
SCHEMBL21720358 0.73 SMN1; SMN2 (0.38) SMN1; SMN2LMNAHPGDHTTATM

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 SMN1; SMN2 3624/4885LMNA 2672/4885HPGD 159/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK SMN1; SMN2 3624/4885LMNA 2672/4885HPGD 159/4885

“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.