SCHEMBL13733297

SCHEMBL13733297

CN(C)C1=C(C#N)C(=O)N(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ CASP1 P29466 3/20 0.44
▸ CASP7 P55210 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ PPARG P37231 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ BLM P54132 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MCL1 Q07820 2/20 0.44
▸ NCOA2 Q15596 2/20 0.44
▸ NCOA1 Q15788 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL10919684 0.70 L3MBTL1 (0.36) ALDH1A1CASP1CASP7HSD17B10L3MBTL1
SCHEMBL2315915 0.67 MAPT (0.45) ALDH1A1CASP1CASP7HSD17B10L3MBTL1
SCHEMBL2315920 0.67 MAPT (0.45) ALDH1A1CASP1CASP7HSD17B10L3MBTL1
SCHEMBL23643407 0.67 ALDH1A1 (0.35) ALDH1A1MEN1POLBKMT2A
SCHEMBL13732723 0.67 KMT2A (0.44) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL10501153 0.67 MAPT (0.35) ALDH1A1CASP1CASP7HSD17B10L3MBTL1
SCHEMBL11034647 0.65 L3MBTL1 (0.43) ALDH1A1CASP1CASP7HSD17B10L3MBTL1
SCHEMBL18655702 0.63 L3MBTL1 (0.41) ALDH1A1CASP1CASP7HSD17B10L3MBTL1
SCHEMBL14714137 0.61 L3MBTL1 (0.37) ALDH1A1CASP1CASP7HSD17B10L3MBTL1
SCHEMBL6850987 0.58 GSK3A (0.44) ALDH1A1HSD17B10L3MBTL1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699090-A1 3,4-DISUBSTITUTED PYRROLE 2,5-DIONES AND THEIR USE AS FUNGICIDES BASF SE (DE) 2014-02-26 — — EP disclosed
US-20140045689-A1 3,4-disubstituted pyrrole 2,5-diones and their use as fungicides BASF SE (DE) 2014-02-13 — — US disclosed
WO-2012143468-A1 3,4-DISUBSTITUTED PYRROLE 2,5-DIONES AND THEIR USE AS FUNGICIDES BASF SE (DE) 2012-10-26 — — WO 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 (1 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-20140045689-A1 3,4-disubstituted pyrrole 2,5-diones and their use as fungicides CYP51A1, DDT, DPM1 ALDH1A1 520/4885CASP1 446/4885CASP7 655/4885

“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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