SCHEMBL10073542

SCHEMBL10073542

CC(C)(C)OC(=O)NCCCOCCNc1nc2[nH]cnc2c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.44
▸ NPSR1 Q6W5P4 7/20 0.41
▸ TDP1 Q9NUW8 6/20 0.41
▸ ATM Q13315 2/20 0.41
▸ POLB P06746 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ STK17B O94768 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MAPT P10636 4/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ XDH P47989 1/20 0.36

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
SCHEMBL610056 0.95 BCHE (0.46) BCHENPSR1TDP1ATMPOLB
SCHEMBL609127 0.91 BCHE (0.47) BCHENPSR1TDP1ATMPOLB
SCHEMBL21183292 0.89 BCHE (0.55) BCHENPSR1TDP1ATMPOLB
SCHEMBL10047095 0.83 BCHE (0.42) BCHENPSR1TDP1ATMPOLB
SCHEMBL10047127 0.81 XDH (0.51) BCHEPOLBMEN1KMT2AMAPT
SCHEMBL1965514 0.72 XDH (0.47) POLBMAPTKDM4EXDH
SCHEMBL2623143 0.71 XDH (0.65) BCHEPOLBMEN1KMT2AKDM4E
SCHEMBL611824 0.70 STK17B (0.47) NPSR1TDP1ATMPOLBMEN1
SCHEMBL766670 0.70 XDH (0.41) KMT2AKDM4EXDH
SCHEMBL249648 0.70 XDH (0.66) BCHEPOLBMEN1KMT2AKDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268607-B9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2015-05-13 — — EP disclosed
EP-2268607-B1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2015-02-18 — — EP disclosed
US-8895734-B2 Peptide nucleic acid derivatives with good cell penetration and strong affinity for nucleic acid OLIPASS CORPORATION (KR) 2014-11-25 — — US disclosed
US-8884008-B2 Peptide nucleic acid derivatives with good cell penetration and strong affinity for nucleic acid OLIPASS CORPORATION (KR) 2014-11-11 — — US disclosed
US-20140323728-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2014-10-30 — — US disclosed
US-8859766-B2 Peptide nucleic acid derivatives with good cell penetration and strong affinity for nucleic acid OLIPASS CORPORATION (KR) 2014-10-14 — — US disclosed
US-20140155604-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2014-06-05 — — US disclosed
US-20140155605-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2014-06-05 — — US disclosed
US-8680253-B2 Peptide nucleic acid derivatives with good cell penetration and strong affinity for nucleic acid OLIPASS CORPORATION (KR) 2014-03-25 — — US disclosed
US-20120040918-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2012-02-16 — — US disclosed
US-20110178031-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2011-07-21 — — 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 (5 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-20140323728-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 BCHE 4726/4885NPSR1 548/4885TDP1 823/4885
US-20140155605-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 BCHE 4726/4885NPSR1 548/4885TDP1 823/4885
US-20120040918-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 BCHE 4726/4885NPSR1 548/4885TDP1 823/4885
US-20110178031-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 BCHE 4726/4885NPSR1 548/4885TDP1 823/4885
US-20140155604-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 BCHE 4726/4885NPSR1 548/4885TDP1 823/4885

“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.

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