SCHEMBL21680786

SCHEMBL21680786

COCCN(C)C(=O)NOC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PIK3CD O00329 1/20 0.33
NAMPT P43490 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MMP2 P08253 1/20 0.32
HDAC4 P56524 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
ATR Q13535 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GABRR1 P24046 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
SCHEMBL21680836 0.82 NAMPT (0.34) MEN1KMT2APIK3CDNAMPTSLC6A2
SCHEMBL7478194 0.81 MEN1 (0.34) TSHRMEN1KMT2APIK3CDNAMPT
SCHEMBL21708125 0.78 MEN1 (0.31) MEN1KMT2A
SCHEMBL10090171 0.78 CHRNB2 (0.36) TSHRMEN1KMT2APIK3CDNAMPT
SCHEMBL19062044 0.76 PIK3CD (0.39) MEN1KMT2APIK3CDNAMPTTP53
SCHEMBL872556 0.76 CHRNB2 (0.37) TSHRMEN1KMT2APIK3CDNAMPT
SCHEMBL731386 0.76
SCHEMBL21680798 0.75 CASP1 (0.45) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL15689727 0.73
SCHEMBL1054527 0.73

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients MITSUI CHEMICALS ARGRO, INC. (JP) 2021-10-19 US disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-20200045963-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES COMPRISING 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 (4 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-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP TSHR 1857/4885MEN1 317/4885KMT2A 1380/4885
US-20200045963-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES COMPRISING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP TSHR 1793/4885MEN1 161/4885KMT2A 2448/4885
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients PNPO, PDXK, PLPBP TSHR 1793/4885MEN1 161/4885KMT2A 2448/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP TSHR 1857/4885MEN1 317/4885KMT2A 1380/4885

“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.