SCHEMBL2260423

SCHEMBL2260423

COc1ccc(C=CC(=O)Nc2ccccc2COc2cccc(C(F)(F)F)c2)cc1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.58
POLB P06746 1/20 0.58
HDAC3 O15379 9/20 0.56
HDAC4 P56524 9/20 0.56
HDAC1 Q13547 9/20 0.56
HDAC7 Q8WUI4 9/20 0.56
HDAC2 Q92769 9/20 0.56
HDAC10 Q969S8 9/20 0.56
HDAC11 Q96DB2 9/20 0.56
HDAC8 Q9BY41 9/20 0.56
HDAC6 Q9UBN7 9/20 0.56
HDAC9 Q9UKV0 9/20 0.56
HDAC5 Q9UQL6 9/20 0.56
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 4/20 0.53
MEN1 O00255 3/20 0.53
HPGD P15428 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 1/20 0.53
CYP3A4 P08684 3/20 0.50

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
SCHEMBL2260420 1.00 PKM (0.58) PKMPOLBHDAC3HDAC4HDAC1
SCHEMBL2260366 0.92 PKM (0.59) PKMPOLBHDAC3HDAC4HDAC1
SCHEMBL2260360 0.92 PKM (0.59) PKMPOLBHDAC3HDAC4HDAC1
SCHEMBL2266242 0.90 MEN1 (0.55) PKMPOLBHDAC3HDAC4HDAC1
SCHEMBL2266235 0.90 MEN1 (0.55) PKMPOLBHDAC3HDAC4HDAC1
SCHEMBL2264699 0.89 POLB (0.55) PKMPOLBHDAC3HDAC4HDAC1
SCHEMBL2264705 0.89 POLB (0.55) PKMPOLBHDAC3HDAC4HDAC1
SCHEMBL2265440 0.89 MEN1 (0.60) PKMPOLBHDAC3HDAC4HDAC1
SCHEMBL2265434 0.89 MEN1 (0.60) PKMPOLBHDAC3HDAC4HDAC1
SCHEMBL2259680 0.87 MEN1 (0.52) PKMPOLBHDAC3HDAC4HDAC1

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 7 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 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

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 PKM 498/4885POLB 684/4885HDAC3 1311/4885
US-20130245019-A1 ACRYLOMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION AIFM1, TFAM, NDUFAB1 PKM 423/4885POLB 839/4885HDAC3 1100/4885

“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.