SCHEMBL612420

SCHEMBL612420

CCOC(=O)CNCCNC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
LTA4H P09960 4/20 0.49
CYP1A2 P05177 2/20 0.47
POLB P06746 2/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
IDO1 P14902 1/20 0.42
PPID Q08752 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL7439749 0.87 POLB (0.50) BCHEACHELTA4HCYP1A2POLB
SCHEMBL9396517 0.85 BCHE (0.54) BCHEACHELTA4HCYP1A2POLB
SCHEMBL20665020 0.79 KMT2A (0.56) LTA4HCYP1A2POLBKMT2A
SCHEMBL9788719 0.73 ALDH1A1 (0.50) BCHEACHEKMT2AALDH1A1MAPT
SCHEMBL7435438 0.73 BCHE (0.49) BCHEACHEPOLBKMT2AMAPT
SCHEMBL28859675 0.73 CYP1A2 (0.64) CYP1A2POLBKMT2AALDH1A1MAPT
SCHEMBL12559711 0.73 PPID (0.64) LTA4HKMT2AALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL9654007 0.72 MAPT (0.49) BCHEACHECYP1A2KMT2AALDH1A1
SCHEMBL7840846 0.72 KMT2A (0.54) CYP1A2KMT2AALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL9651566 0.72 BCHE (0.47) BCHEACHEPOLBKMT2AMAPT

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 15 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-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-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-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
CN-102015628-A Peptide nucleic acid derivatives with good cell penetration and strong affinity for nucleic acid CTI BIO 2011-04-13 CN disclosed
EP-2268607-A2 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID Cti Bio (KR) 2011-01-05 EP disclosed
WO-2009113828-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2009-11-05 WO disclosed
WO-2009113828-A2 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2009-09-17 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 (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 4726/4885ACHE 4861/4885LTA4H 4102/4885
US-20140155605-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 BCHE 4726/4885ACHE 4861/4885LTA4H 4102/4885
US-20120040918-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 BCHE 4726/4885ACHE 4861/4885LTA4H 4102/4885
US-20110178031-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 BCHE 4726/4885ACHE 4861/4885LTA4H 4102/4885
US-20140155604-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 BCHE 4726/4885ACHE 4861/4885LTA4H 4102/4885

“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.