SCHEMBL2266684

SCHEMBL2266684

COc1ccc(C=CC(=O)Nc2ccccc2COc2ccccc2C(F)(F)F)cc1OC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.68
POLB P06746 1/20 0.68
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 3/20 0.58
KDM4E B2RXH2 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
ACHE P22303 1/20 0.54
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
MEN1 O00255 3/20 0.52
HPGD P15428 3/20 0.52
KMT2A Q03164 3/20 0.52
TP53 P04637 2/20 0.52
HIF1A Q16665 2/20 0.52
CYP2C9 P11712 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ABCC4 O15439 1/20 0.52
HPGDS O60760 1/20 0.52

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
SCHEMBL2266676 1.00 PKM (0.68) PKMPOLBALDH1A1CYP3A4KDM4E
SCHEMBL2259798 0.91 MEN1 (0.60) PKMPOLBALDH1A1CYP3A4KDM4E
SCHEMBL2259793 0.91 MEN1 (0.60) PKMPOLBALDH1A1CYP3A4KDM4E
SCHEMBL2262942 0.89 PKM (0.66) PKMPOLBALDH1A1CYP3A4KDM4E
SCHEMBL2262938 0.89 PKM (0.66) PKMPOLBALDH1A1CYP3A4KDM4E
SCHEMBL2265844 0.89 HDAC3 (0.56) PKMPOLBALDH1A1CYP3A4KDM4E
SCHEMBL2265838 0.89 HDAC3 (0.56) PKMPOLBALDH1A1CYP3A4KDM4E
SCHEMBL2260360 0.87 PKM (0.59) PKMPOLBALDH1A1CYP3A4KDM4E
SCHEMBL2260366 0.87 PKM (0.59) PKMPOLBALDH1A1CYP3A4KDM4E
SCHEMBL2260352 0.87 MEN1 (0.55) PKMPOLBALDH1A1CYP3A4KDM4E

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 684/4885ALDH1A1 505/4885
US-20130245019-A1 ACRYLOMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION AIFM1, TFAM, NDUFAB1 PKM 423/4885POLB 839/4885ALDH1A1 437/4885

“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.