SCHEMBL10078096

SCHEMBL10078096

CC(C)(C)OC(=O)NCCC(=O)Nc1cccc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
XIAP P98170 1/20 0.45
BIRC2 Q13490 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 1/20 0.44
TLR7 Q9NYK1 1/20 0.42
BCHE P06276 1/20 0.41
NQO2 P16083 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
ABL1 P00519 1/20 0.41
PDGFRB P09619 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL305272 0.83 XIAP (0.55) KDM4EXIAPBIRC2TDP1KMT2A
SCHEMBL3146288 0.80 GAA (0.54) KDM4EL3MBTL1TDP1POLBALDH1A1
SCHEMBL24742274 0.78 CYP3A4 (0.51) CA1CA2KDM4EL3MBTL1TDP1
SCHEMBL16765682 0.77 NQO2 (0.50) CA1CA2KDM4EBCHENQO2
SCHEMBL15584781 0.77 CA1 (0.62) CA1CA2KDM4EL3MBTL1TDP1
SCHEMBL8290128 0.76 HDAC3 (0.55) CA1CA2
SCHEMBL28734996 0.76 XIAP (0.56) KDM4EXIAPBIRC2TDP1ADORA3
SCHEMBL8692897 0.76 CA1 (0.66) CA1CA2KDM4EL3MBTL1TDP1
SCHEMBL8692644 0.76 POLB (0.55) CA1CA2KDM4EL3MBTL1TDP1
SCHEMBL431114 0.75 XIAP (0.55) KDM4EXIAPBIRC2TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2013-09-05 US disclosed
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2013-09-05 US disclosed
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 WO disclosed
US-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENE ARREST LTD. (IL) 2010-11-11 US disclosed
US-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENE ARREST LTD. (IL) 2010-11-11 US 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-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLRMT, POLM, SNRPE CA1 4047/4885CA2 3565/4885KDM4E 3161/4885
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 CA1 4239/4885CA2 3832/4885KDM4E 2745/4885

“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.