SCHEMBL434582

SCHEMBL434582

Nc1nc(NC(=O)OCc2ccccc2)c2ncn(CC(=O)O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.43
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
YTHDC1 Q96MU7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 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
SCHEMBL10077231 0.89 TSHR (0.43) CDK1HDAC1HDAC2NPC1RAB9A
SCHEMBL10077227 0.89 HTT (0.43) CDK1HDAC1HDAC2HDAC8YTHDC1
SCHEMBL7852208 0.88 HDAC1 (0.43) CDK1HDAC1HDAC2NPC1RAB9A
SCHEMBL13074308 0.88 CDK1 (0.42) CDK1HDAC1HDAC2NPC1RAB9A
SCHEMBL3130095 0.84 TDP1 (0.48) HDAC1HDAC2NPC1RAB9APOLB
SCHEMBL27586664 0.82 CDK1 (0.45) CDK1HDAC1HDAC2NPC1RAB9A
SCHEMBL2153643 0.80 MGMT (0.54) CDK1HDAC1HDAC2ALDH1A1CYP1A2
SCHEMBL432837 0.80 CCNE2 (0.37) CDK1HDAC1HDAC2NPC1RAB9A
SCHEMBL430210 0.80 CCNE2 (0.38) CDK1HDAC1HDAC2POLBHDAC3
SCHEMBL10077226 0.80 HTT (0.41) CDK1HDAC1HDAC2NPC1RAB9A

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 18 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
EP-1381392-A4 SYNTHETIC CATALYST FOR SELECTIVE CLEAVAGE OF PROTEIN AND METHOD FOR SELECTIVE CLEAVAGE OF PROTEIN USING THE SAME TS CORP (KR) 2005-03-23 EP disclosed
CN-1531444-A Synthetic catalyst for selective cleavage of protein and method for selective cleavage of protein using same ������������ʽ���� 2004-09-22 CN disclosed
EP-1381392-A1 SYNTHETIC CATALYST FOR SELECTIVE CLEAVAGE OF PROTEIN AND METHOD FOR SELECTIVE CLEAVAGE OF PROTEIN USING THE SAME TS Corporation (KR) 2004-01-21 EP disclosed
US-6613873-B1 Covalently bound to a polyamide backbone; given formula; exhibit increased sequence specificity and binding affinity; resistant to enzyme degradation ISIS PHARMACEUTICALS, INC. 2003-09-02 US disclosed
US-20020165365-A1 Synthetic catalyst for selective cleavage of protein and method for selective cleavage of protein using the same ARTZYME BIOTECH CORPORATION (KR) 2002-11-07 US disclosed
WO-2002085413-A1 SYNTHETIC CATALYST FOR SELECTIVE CLEAVAGE OF PROTEIN AND METHOD FOR SELECTIVE CLEAVAGE OF PROTEIN USING THE SAME TS CORPORATION (KR) 2002-10-31 WO disclosed
US-20020146718-A1 Peptide nucleic acids having 2,6-diaminopurine nucleobases BUCHARDT OLE (DK) 2002-10-10 US disclosed
US-6414112-B1 BIND COMPLEMENTARY NUCLEIC ACIDS MORE STRONGLY AND HAVE INCREASED SEQUENCE SPECIFICITY AND BINDING AFFINITY BUCHARDT OLE (DE) 2002-07-02 US disclosed
US-5766855-A Peptide nucleic acids having enhanced binding affinity and sequence specificity BUCHARDT OLE (DK) 1998-06-16 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 (4 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 CDK1 3891/4885HDAC1 2698/4885HDAC2 2623/4885
US-20020146718-A1 Peptide nucleic acids having 2,6-diaminopurine nucleobases NT5C3B, NSUN2, PCNA CDK1 2635/4885HDAC1 3254/4885HDAC2 3251/4885
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 CDK1 3897/4885HDAC1 2773/4885HDAC2 2568/4885
US-20020165365-A1 Synthetic catalyst for selective cleavage of protein and method for selective cleavage of protein using the same CPN1, RNPEP, ANPEP CDK1 2834/4885HDAC1 2769/4885HDAC2 3647/4885

“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.