SCHEMBL2261802

SCHEMBL2261802

COc1ccc(C=CC(=O)Nc2cccc3c2ccn3Cc2ccccc2)cc1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 3/20 0.52
TP53 P04637 2/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 2/20 0.52
HIF1A Q16665 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ABCC4 O15439 1/20 0.52
HPGDS O60760 1/20 0.52
ABCB11 O95342 1/20 0.52
ALOX12 P18054 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
SCHEMBL2261795 1.00 MEN1 (0.52) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2260990 0.90 MAOA (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2260995 0.90 MAOA (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2263588 0.86 MEN1 (0.52) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2263594 0.86 MEN1 (0.52) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2261715 0.85 MEN1 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2261707 0.85 MEN1 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2264701 0.85 MEN1 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2264694 0.85 MEN1 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2261272 0.85 MEN1 (0.53) MEN1KMT2AALDH1A1NPC1RAB9A

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 8 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
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 MEN1 4861/4885KMT2A 4824/4885ALDH1A1 505/4885
US-20130245019-A1 ACRYLOMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION AIFM1, TFAM, NDUFAB1 MEN1 4863/4885KMT2A 4857/4885ALDH1A1 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.