SCHEMBL21680882

SCHEMBL21680882

CCNC(=O)N(C)CCC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.46
MCL1 Q07820 2/20 0.44
ALDH1A1 P00352 10/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.35
GAA P10253 3/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 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
SCHEMBL21680890 0.80 CASP1 (0.45) CASP1MCL1ALDH1A1MAPTHPGD
SCHEMBL21680775 0.80 MCL1 (0.47) CASP1MCL1ALDH1A1KMT2AGAA
SCHEMBL969640 0.77 ALDH1A1 (0.39) MCL1ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL12604532 0.77 CASP1 (0.42) CASP1MCL1ALDH1A1MAPTHPGD
SCHEMBL21680778 0.77 CASP1 (0.50) CASP1ALDH1A1MAPTHPGDKDM4E
SCHEMBL21680798 0.76 CASP1 (0.45) CASP1ALDH1A1MAPTHPGDKDM4E
SCHEMBL10090412 0.75 MAPT (0.39) MCL1ALDH1A1MAPTKMT2AGAA
SCHEMBL14098259 0.74 CASP1 (0.54) CASP1ALDH1A1MAPTHPGDKDM4E
SCHEMBL968056 0.74 EPHX2 (0.45) ALDH1A1GAA
SCHEMBL50495 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-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP 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
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 CASP1 24/4885MCL1 4128/4885ALDH1A1 814/4885
US-20200045963-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES COMPRISING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP CASP1 65/4885MCL1 3897/4885ALDH1A1 1036/4885
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients PNPO, PDXK, PLPBP CASP1 65/4885MCL1 3897/4885ALDH1A1 1036/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP CASP1 24/4885MCL1 4128/4885ALDH1A1 814/4885

“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.