SCHEMBL21720726

SCHEMBL21720726

COc1cnn(C(C)(C)C)c1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD11B1 P28845 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
SCHEMBL21720613 0.78 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2LMNAHPGDHTT
SCHEMBL21720615 0.78 SMN1; SMN2 (0.36) ALDH1A1L3MBTL1SMN1; SMN2LMNAHPGD
SCHEMBL21721023 0.77 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2LMNAHPGDHTT
SCHEMBL21720720 0.76 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2LMNAHPGDHTT
SCHEMBL21720358 0.76 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2LMNAHPGDHTT
SCHEMBL21719815 0.74 TSHR (0.31)
SCHEMBL21720714 0.72
SCHEMBL21718834 0.72 CYP1A2 (0.35) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL21718645 0.72
SCHEMBL21718849 0.71 MAPK1 (0.35) ALDH1A1SMN1; SMN2LMNAHPGDHTT

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 ALDH1A1 894/4885L3MBTL1 3199/4885SMN1; SMN2 3624/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885L3MBTL1 3199/4885SMN1; SMN2 3624/4885

“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.