SCHEMBL10077237

SCHEMBL10077237

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
SCD O00767 3/20 0.40
CASP3 P42574 1/20 0.39
PNP P00491 1/20 0.39
ROCK2 O75116 1/20 0.38
GDA Q9Y2T3 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL10078215 0.89 TSHR (0.44) RAB9ANPC1POLBSCDTP53
SCHEMBL10076900 0.89 HTT (0.42)
SCHEMBL13074309 0.88 SCD (0.39) RAB9ANPC1POLBSCDCASP3
SCHEMBL3139870 0.84 MEN1 (0.48) PNPTSHR
SCHEMBL430139 0.80 CKS1B (0.36) RAB9ANPC1POLBSCDTP53
SCHEMBL10076898 0.80 TSHR (0.42) RAB9ANPC1TP53TSHR
SCHEMBL13074133 0.80 L3MBTL1 (0.42) MAPK1
SCHEMBL7852208 0.79 HDAC1 (0.43) RAB9ANPC1POLB
SCHEMBL434582 0.78 CDK1 (0.43) RAB9ANPC1POLBTP53
SCHEMBL7843904 0.78 SCD (0.43) RAB9ANPC1POLBSCD

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 RAB9A 4581/4885NPC1 3085/4885POLB 14/4885
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 RAB9A 4515/4885NPC1 2685/4885POLB 15/4885

“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.