SCHEMBL10076898

SCHEMBL10076898

CCOC(=O)Cn1cnc2c(NC(=O)CCNC(=O)OCc3ccccc3)[nH]c(=O)nc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GAA P10253 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37

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
SCHEMBL13074133 0.91 L3MBTL1 (0.42) HTTKDM4EHSD17B10L3MBTL1MEN1
SCHEMBL10076900 0.91 HTT (0.42) HTTKDM4EHSD17B10L3MBTL1MEN1
SCHEMBL10078215 0.90 TSHR (0.44) TSHRHTTKDM4EHSD17B10ALDH1A1
SCHEMBL3669146 0.86 RXFP1 (0.34) TSHRHTTKDM4EHSD17B10L3MBTL1
SCHEMBL13074134 0.85 SYK (0.36) KDM4EHSD17B10L3MBTL1MEN1KMT2A
SCHEMBL10077226 0.83 HTT (0.41) TSHRHTTKDM4EHSD17B10ALDH1A1
SCHEMBL3669585 0.82 CKS1B (0.34) HTTKDM4EHSD17B10L3MBTL1MEN1
SCHEMBL10078094 0.81 MEN1 (0.34) KDM4EL3MBTL1MEN1KMT2AGAA
SCHEMBL10077237 0.80 RAB9A (0.40) TSHRRAB9ANPC1TP53
SCHEMBL10077228 0.79 SYK (0.36) TSHRHTTALDH1A1RAB9AL3MBTL1

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 4 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

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 TSHR 2598/4885HTT 1883/4885KDM4E 3161/4885
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 TSHR 2534/4885HTT 1629/4885KDM4E 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.