SCHEMBL431114

SCHEMBL431114

NCCC(=O)Nc1cccc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.55
BIRC2 Q13490 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CASR P41180 1/20 0.44
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL432255 0.92 XIAP (0.51) XIAPBIRC2SMN1; SMN2ALDH1A1NPC1
SCHEMBL431802 0.89 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9ATDP1
SCHEMBL28734996 0.87 XIAP (0.56) XIAPBIRC2SMN1; SMN2ALDH1A1NPC1
SCHEMBL16899020 0.83 XIAP (0.59) XIAPBIRC2SMN1; SMN2ALDH1A1NPC1
SCHEMBL7490347 0.83 XIAP (0.55) XIAPBIRC2SMN1; SMN2ALDH1A1NPC1
SCHEMBL430530 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1NPC1RAB9ATDP1
SCHEMBL31415855 0.81 XIAP (0.50) XIAPBIRC2SMN1; SMN2ALDH1A1NPC1
SCHEMBL7727310 0.79 XIAP (0.55) XIAPBIRC2SMN1; SMN2ALDH1A1NPC1
SCHEMBL4138786 0.79 XIAP (0.51) XIAPBIRC2SMN1; SMN2ALDH1A1NPC1
SCHEMBL13403439 0.78 XIAP (0.62) XIAPBIRC2SMN1; SMN2ALDH1A1NPC1

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 9 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
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2013-09-05 US disclosed
EP-2596102-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GeneArrest Ltd (IL) 2013-05-29 EP disclosed
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 WO 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
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 XIAP 630/4885BIRC2 1115/4885SMN1; SMN2 2203/4885
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 XIAP 881/4885BIRC2 1163/4885SMN1; SMN2 1971/4885

“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.