SCHEMBL2153643

SCHEMBL2153643

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 5/20 0.54
CYP3A4 P08684 3/20 0.48
MPO P05164 1/20 0.48
TPO P07202 1/20 0.48
EPX P11678 1/20 0.48
DAPK1 P53355 1/20 0.48
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CCNA1 P78396 2/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HIF1A Q16665 1/20 0.45
PHLPP2 Q6ZVD8 1/20 0.45
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
HDAC1 Q13547 1/20 0.43

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
SCHEMBL8898522 0.92 MGMT (0.53) MGMTCYP3A4MPOTPOEPX
SCHEMBL3301303 0.87 MGMT (0.49) MGMTCYP3A4MPOTPOEPX
SCHEMBL4869642 0.84 MGMT (0.62) MGMTCYP3A4MPOTPOEPX
SCHEMBL8340777 0.83 DAPK1 (0.46) MGMTDAPK1ALDH1A1GALR3NR2F2
SCHEMBL3300204 0.82 MGMT (0.49) MGMTCYP3A4MPOTPOEPX
SCHEMBL1404491 0.81 DAPK1 (0.72) DAPK1CYP1A2ALDH1A1GALR3NR2F2
SCHEMBL25500746 0.81 MGMT (0.55) MGMTCYP3A4MPOTPOEPX
SCHEMBL8768015 0.81 HSP90AB1 (0.52) CDK1CCNB1CDK2CYP2C19FLT4
SCHEMBL6242402 0.81 DAPK1 (0.44) MGMTDAPK1GALR3NR2F2FLT4
SCHEMBL8896045 0.81 MGMT (0.52) MGMTCYP3A4MPOTPOEPX

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115136-A1 PNA DIAGNOSTIC USE PNA Patent Owners (a/k/a CIG) (US) 2012-05-10 US disclosed
EP-1074559-B1 Peptide nucleic acids BUCHARDT OLE (DK) 2011-07-06 EP disclosed
US-7378485-B2 Peptide nucleic acids with polyamide-containing backbones BUCHARDT OLE 2008-05-27 US disclosed
EP-0773950-B1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2007-08-22 EP disclosed
US-7223833-B1 Peptide nucleic acid conjugates ISIS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20060160731-A1 Peptide nucleic acids BUCHARDT OLE 2006-07-20 US disclosed
EP-1411063-B1 Peptide nucleic acids BUCHARDT OLE (DK) 2006-07-19 EP disclosed
US-20060046255-A1 Use of nucleic acid analogues in diagnostics and analytical procedures BUCHARDT OLE 2006-03-02 US disclosed
EP-0960121-B1 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT DORTE (DK) 2005-11-30 EP disclosed
US-20050009041-A1 Peptide nucleic acids and synthetic procedures therefor BUCHARDT OLE (DK) 2005-01-13 US disclosed
EP-0586618-B1 THE USE OF NUCLEIC ACID ANALOGUES IN DIAGNOSTICS AND ANALYTICAL PROCEDURES BUCHARDT DORTE (DK) 1997-07-16 EP disclosed
EP-0773950-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
US-5539082-A Peptide nucleic acids NIELSEN PETER E (DK) 1996-07-23 US disclosed
WO-1996020212-A2 PEPTIDE NUCLEIC ACID INCORPORATING A CHIRAL BACKBONE BUCHARDT, DORTE (DK) 1996-07-04 WO disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 WO disclosed
WO-1996002558-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed
EP-0586474-A1 PEPTIDE NUCLEIC ACIDS BUCHARDT, Ole (DK) 1994-03-16 EP disclosed
WO-1992020703-A1 THE USE OF NUCLEIC ACID ANALOGUES IN DIAGNOSTICS AND ANALYTICAL PROCEDURES BUCHARDT OLE (DK) 1992-11-26 WO disclosed
WO-1992020702-A1 PEPTIDE NUCLEIC ACIDS BUCHARDT OLE (DK) 1992-11-26 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 (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-20120115136-A1 PNA DIAGNOSTIC USE RNASE1, NCL, PABPC4 MGMT 3083/4885CYP3A4 4723/4885MPO 769/4885
US-20050009041-A1 Peptide nucleic acids and synthetic procedures therefor POLRMT, CPSF7, RNGTT MGMT 827/4885CYP3A4 4839/4885MPO 4100/4885
US-20060046255-A1 Use of nucleic acid analogues in diagnostics and analytical procedures ADAR, POLRMT, POLI MGMT 968/4885CYP3A4 3595/4885MPO 2340/4885
US-20060160731-A1 Peptide nucleic acids RNGTT, POLM, POLRMT MGMT 1298/4885CYP3A4 4869/4885MPO 4065/4885

“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.