SCHEMBL21720358

SCHEMBL21720358

COc1cnn(C(C)(C)C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ HSD11B1 P28845 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GALR3 O60755 1/20 0.30
▸ NR2F2 P24468 1/20 0.30
▸ GPR183 P32249 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
SCHEMBL21511152 0.78 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL21720615 0.78 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL21720613 0.78 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL21720720 0.76 SMN1; SMN2 (0.33) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL21720726 0.76 ALDH1A1 (0.34) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL21720764 0.74 SMN1; SMN2 (0.33) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL21721023 0.73 SMN1; SMN2 (0.34) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL20843896 0.72 CYP1A2 (0.35) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL21718646 0.71 TSHR (0.35) SMN1; SMN2LMNAHPGDHTTATM
SCHEMBL21721149 0.71 SMN1; SMN2 (0.31) 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.

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