SCHEMBL10047124

SCHEMBL10047124

CN1CCN(C(=O)Cn2cnc3c(NC(=O)OCc4ccccc4)nc(NCCCNC(=O)OC(C)(C)C)nc32)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
HDAC1 Q13547 7/20 0.39
HDAC2 Q92769 7/20 0.39
RAB9A P51151 1/20 0.38
CDK1 P06493 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35

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
SCHEMBL611482 0.87 HDAC1 (0.34) SIGMAR1HDAC1HDAC2RAB9A
SCHEMBL10047123 0.87 RAB9A (0.43) HDAC1HDAC2RAB9ACDK1
SCHEMBL1006887 0.83 HDAC1 (0.45) HDAC1HDAC2RAB9AHDAC8HDAC6
SCHEMBL16206264 0.81 HDAC1 (0.48) HDAC1HDAC2HDAC8HDAC6
SCHEMBL10047121 0.77 HDAC1 (0.39) HDAC1HDAC2HDAC8HDAC6
SCHEMBL7843680 0.73 CCNE2 (0.39) HDAC1HDAC2HDAC8HDAC6
SCHEMBL16488216 0.72 HDAC1 (0.42) HDAC1HDAC2RAB9ACDK1
SCHEMBL609134 0.72 HDAC1 (0.34) HDAC1HDAC2
SCHEMBL16203695 0.71 HDAC1 (0.42) HDAC1HDAC2
SCHEMBL16203696 0.71 HDAC1 (0.56) HDAC1HDAC2CDK1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SIGMAR1 3117/4885HDAC1 4236/4885HDAC2 4426/4885
US-20140155605-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 SIGMAR1 3117/4885HDAC1 4236/4885HDAC2 4426/4885
US-20120040918-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 SIGMAR1 3117/4885HDAC1 4236/4885HDAC2 4426/4885
US-20110178031-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 SIGMAR1 3117/4885HDAC1 4236/4885HDAC2 4426/4885
US-20140155604-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 SIGMAR1 3117/4885HDAC1 4236/4885HDAC2 4426/4885

“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.