SCHEMBL10077231

SCHEMBL10077231

CCOC(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)nc(N)nc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
HDAC1 Q13547 3/20 0.42
CDK1 P06493 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC2 Q92769 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
YTHDC1 Q96MU7 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.39
TLR9 Q9NR96 1/20 0.39
HPGD P15428 2/20 0.39
SCD O00767 1/20 0.39

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
SCHEMBL10077226 0.90 HTT (0.41) TSHRHTTRAB9ANPC1HDAC1
SCHEMBL434582 0.89 CDK1 (0.43) RAB9ANPC1HDAC1CDK1ALDH1A1
SCHEMBL6690200 0.85 TDP1 (0.49) TSHRHTTRAB9ANPC1HDAC1
SCHEMBL13074308 0.83 CDK1 (0.42) RAB9ANPC1HDAC1CDK1ALDH1A1
SCHEMBL3301303 0.83 MGMT (0.49) TSHRHTTRAB9ANPC1CDK1
SCHEMBL13037057 0.83 TLR9 (0.42) TSHRRAB9ANPC1HDAC1CDK1
SCHEMBL16203696 0.83 HDAC1 (0.56) HDAC1CDK1HDAC2HDAC8
SCHEMBL3823809 0.81 RAB9A (0.43) TSHRHTTRAB9ANPC1ALDH1A1
SCHEMBL27586664 0.81 CDK1 (0.45) TSHRRAB9ANPC1HDAC1CDK1
SCHEMBL10078215 0.80 TSHR (0.44) TSHRHTTRAB9ANPC1ALDH1A1

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 TSHR 2598/4885HTT 1883/4885RAB9A 4581/4885
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 TSHR 2534/4885HTT 1629/4885RAB9A 4515/4885

“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.