SCHEMBL2261690

SCHEMBL2261690

CCOc1ccc(NC(=O)C=Cc2ccc(OC)c(O)c2)c2c1cnn2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
TRPA1 O75762 1/20 0.48
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.45
APP P05067 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
KDM1A O60341 2/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
BACE1 P56817 2/20 0.44
TP53 P04637 3/20 0.43
CYP3A4 P08684 2/20 0.43
HIF1A Q16665 2/20 0.43
PDE4D Q08499 2/20 0.43

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
SCHEMBL2261681 1.00 BCHE (0.49) BCHETRPA1MMP1MMP2MMP9
SCHEMBL2265682 0.81 MMP1 (0.55) BCHEMMP1MMP2MMP9MEN1
SCHEMBL2265673 0.81 MMP1 (0.55) BCHEMMP1MMP2MMP9MEN1
SCHEMBL2259442 0.80 MMP1 (0.56) BCHEMMP1MMP2MMP9MEN1
SCHEMBL2259444 0.80 MMP1 (0.56) BCHEMMP1MMP2MMP9MEN1
SCHEMBL2260564 0.72 MMP1 (0.53) BCHETRPA1MMP1MMP2MMP9
SCHEMBL2260573 0.72 MMP1 (0.53) BCHETRPA1MMP1MMP2MMP9
SCHEMBL16965868 0.71 MAOA (0.54) BCHEMMP1MMP2MMP9MEN1
SCHEMBL12388343 0.71 MAOA (0.54) BCHEMMP1MMP2MMP9MEN1
SCHEMBL2263930 0.71 MAOA (0.53) BCHEMMP1MMP2MMP9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349982-B1 ACRYLAMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION CONGENIA S R L (IT) 2015-08-05 EP claimed
US-8470831-B2 Acrylamido derivatives useful as inhibitors of the mitochondrial permeability transition Cogenia SRL (IT) 2013-06-25 US claimed
US-20110195977-A1 ACRYLAMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION CONGENIA SRL (IT) 2011-08-11 US claimed
EP-2179984-A1 Acrylamido derivatives useful as inhibitors of the mitochondrial permeability transition Congenia S.r.l. (IT) 2010-04-28 EP claimed
WO-2016144352-A2 THERAPEUTIC COMPOSITIONS INCLUDING ACRYLAMIDO COMPOUNDS OR PHENYL-SUBSTITUTED MALEIMIDE COMPOUNDS, VARIANTS THEREOF AND METHODS OF USING THE SAME STEALTH PEPTIDES INTERNATIONAL, INC. (MC) 2016-09-15 WO disclosed
EP-2349982-B1 ACRYLAMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION CONGENIA S R L (IT) 2015-08-05 EP disclosed
US-8669261-B2 Acrylomido derivatives useful as inhibitors of the mitochondrial permeability transition Congenia SLR (IT) 2014-03-11 US disclosed
US-20130245019-A1 ACRYLOMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION CONGENIA SRL (IT) 2013-09-19 US disclosed
US-8470831-B2 Acrylamido derivatives useful as inhibitors of the mitochondrial permeability transition Cogenia SRL (IT) 2013-06-25 US disclosed
US-20110195977-A1 ACRYLAMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION CONGENIA SRL (IT) 2011-08-11 US disclosed
EP-2349982-A1 ACRYLAMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION Congenia S.r.l. (IT) 2011-08-03 EP disclosed
WO-2010049768-A1 ACRYLAMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION CONGENIA SRL (IT) 2010-05-06 WO disclosed
EP-2179984-A1 Acrylamido derivatives useful as inhibitors of the mitochondrial permeability transition Congenia S.r.l. (IT) 2010-04-28 EP 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-20110195977-A1 ACRYLAMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION AIFM1, TFAM, NDUFAB1 BCHE 3718/4885TRPA1 403/4885MMP1 816/4885
US-20130245019-A1 ACRYLOMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION AIFM1, TFAM, NDUFAB1 BCHE 3852/4885TRPA1 363/4885MMP1 733/4885

“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.