SCHEMBL2265838

SCHEMBL2265838

COc1ccc(/C=C/C(=O)Nc2ccccc2COc2ccccc2F)cc1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.56
HDAC4 P56524 8/20 0.56
HDAC1 Q13547 8/20 0.56
HDAC7 Q8WUI4 8/20 0.56
HDAC2 Q92769 8/20 0.56
HDAC10 Q969S8 8/20 0.56
HDAC11 Q96DB2 8/20 0.56
HDAC8 Q9BY41 8/20 0.56
HDAC6 Q9UBN7 8/20 0.56
HDAC9 Q9UKV0 8/20 0.56
HDAC5 Q9UQL6 8/20 0.56
KDM1A O60341 2/20 0.56
PKM P14618 2/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 2/20 0.55

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
SCHEMBL2265844 1.00 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2259793 0.93 MEN1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2259798 0.93 MEN1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2262001 0.90 KDM1A (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2262005 0.90 KDM1A (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2260352 0.89 MEN1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2260345 0.89 MEN1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2266684 0.89 PKM (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2266676 0.89 PKM (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2265434 0.88 MEN1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2

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 12 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-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-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-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
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 HDAC3 1311/4885HDAC4 1916/4885HDAC1 734/4885
US-20130245019-A1 ACRYLOMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION AIFM1, TFAM, NDUFAB1 HDAC3 1100/4885HDAC4 1843/4885HDAC1 732/4885

“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.