SCHEMBL22043396

SCHEMBL22043396

C=CCOc1ccc(C(C)(C)CC)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
MAOA P21397 3/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
AGER Q15109 1/20 0.36
CA12 O43570 5/20 0.35
CA1 P00915 5/20 0.35
CA9 Q16790 5/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
FGFR1 P11362 1/20 0.34
AR P10275 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL21718853 0.87 MAOB (0.42) MAOBMAOAMAPTMEN1LMNA
SCHEMBL22043401 0.84 GLA (0.45) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL22043061 0.82 L3MBTL1 (0.38) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL22043304 0.81 MAOB (0.36) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL22043312 0.80 AR (0.39) MAOBMAOAAR
SCHEMBL22043400 0.80 GSTP1 (0.37) MAOBMAOAALDH1A1CA12CA1
SCHEMBL22043402 0.79 MAPT (0.39) MAOAMAPTMEN1LMNAKMT2A
SCHEMBL22043391 0.79 ALDH1A1 (0.41) MAOAMAPTMEN1LMNAKMT2A
SCHEMBL22043398 0.79 AGER (0.40) MAOBMAOAMAPTMEN1LMNA
SCHEMBL22043390 0.79 MAPT (0.39) MAOBMAOAMAPTMEN1LMNA

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-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 MAOB 241/4885MAOA 262/4885MAPT 4211/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 MAOB 241/4885MAOA 262/4885MAPT 4211/4885

“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.