SCHEMBL431802

SCHEMBL431802

NCCC(=O)Nc1cccc(NC(=O)CCN)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
HPGD P15428 1/20 0.48
CASR P41180 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TERT O14746 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL430530 0.91 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL431114 0.89 XIAP (0.55) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL821743 0.82 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL432255 0.81 XIAP (0.51) SMN1; SMN2RAB9ANPC1HPGDCASR
SCHEMBL13149787 0.79 GAA (0.73) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL15305700 0.79 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL30856565 0.79 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL14580724 0.79 NPC1 (0.71) SMN1; SMN2KMT2ARAB9ANPC1ALDH1A1
Iodide SCHEMBL3141619 0.78 GAA (0.71) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL4551457 0.78 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2ARAB9ANPC1

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 SMN1; SMN2 1971/4885MEN1 4509/4885KMT2A 2064/4885

“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.