SCHEMBL3130095

SCHEMBL3130095

O=C(O)Cn1cnc2c(NC(=O)OCc3ccccc3)ncnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
HDAC1 Q13547 5/20 0.48
HDAC2 Q92769 5/20 0.48
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DAPK1 P53355 1/20 0.46
TMIGD3 P0DMS9 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA2B P29275 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FLT4 P35916 1/20 0.44

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
SCHEMBL7906492 0.91 PDE4A (0.49) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL8421549 0.89 PDE4A (0.47) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL6690200 0.89 TDP1 (0.49) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL3134558 0.89 HDAC1 (0.50) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL9435466 0.87 CCNE2 (0.47) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL14548958 0.86 HDAC1 (0.55) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL13609069 0.85 HTT (0.57) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL23453027 0.85 HTT (0.51) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7852208 0.85 HDAC1 (0.43) HDAC1HDAC2NPC1RAB9APOLB
SCHEMBL13196022 0.84 NPC1 (0.45) TDP1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074911-B Peptide nucleic acid monomers and oligomers 优基艾森斯股份公司 2020-11-03 CN disclosed
US-20170166900-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS UGISENSE AG (DE) 2017-06-15 US disclosed
US-20170002355-A1 cGAP-PNA MULTIVALENT PEPTIDE NUCLEIC ACID LIGAND DISPLAY THE USA, AS REPRESENTED BY THE SECRETARY, DEPART- MENT OF HEALTH AND HUMAN SERVICES (US) 2017-01-05 US disclosed
US-20170002355-A1 cGAP-PNA MULTIVALENT PEPTIDE NUCLEIC ACID LIGAND DISPLAY THE USA, AS REPRESENTED BY THE SECRETARY, DEPART- MENT OF HEALTH AND HUMAN SERVICES (US) 2017-01-05 US disclosed
EP-2569328-B1 PROGRAMMABLE SELF-ASSEMBLED NANOSTRUCTURES BASED ON SIDECHAIN-MODIFIED PNA FOR THE MULTIVALENT DISPLAY OF LIGANDS US HEALTH (US) 2016-12-14 EP disclosed
WO-2015112438-A1 cGAP-PNA MULTIVALENT PEPTIDE NUCLEIC ACID LIGAND DISPLAY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-07-30 WO disclosed
US-20140148500-A1 PROGRAMMABLE SELF-ASSEMBLED NANOSTRUCTURES BASED ON SIDECHAIN-MODIFIED PNA FOR THE MULTIVALENT DISPLAY OF LIGANDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-05-29 US disclosed
US-20140148500-A1 PROGRAMMABLE SELF-ASSEMBLED NANOSTRUCTURES BASED ON SIDECHAIN-MODIFIED PNA FOR THE MULTIVALENT DISPLAY OF LIGANDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-05-29 US disclosed
EP-2174936-B1 PNA monomer and precursor PANAGENE INC (KR) 2013-09-04 EP disclosed
WO-2011143323-A2 PROGRAMMABLE SELF-ASSEMBLED NANOSTRUCTURES BASED ON SIDECHAIN-MODIFIED PNA FOR THE MULTIVALENT DISPLAY OF LIGANDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2011-11-17 WO disclosed
US-5831014-A OLIGOMERS WITH PEPTIDE NUCLEIC ACID UNITS AND AMINO ACID UNITS ISIS PHARMACEUTICALS, INC. (US) 1998-11-03 US disclosed
EP-0618923-A4 PEPTIDE NUCLEIC ACIDS AND THEIR EFFECT ON GENETIC MATERIAL. GLAXO INC (US) 1998-05-20 EP disclosed
EP-0777678-A4 1997-07-16 EP disclosed
EP-0777678-A1 PNA COMBINATORIAL LIBRARIES AND IMPROVED METHODS OF SYNTHESIS ISIS PHARMACEUTICALS, INC. (US) 1997-06-11 EP disclosed
EP-0773950-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
WO-1996002558-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed
WO-1995023163-A1 PNA COMBINATORIAL LIBRARIES AND IMPROVED METHODS OF SYNTHESIS ISIS PHARMACEUTICALS, INC. (US) 1995-08-31 WO disclosed
EP-0646595-A1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1995-04-05 EP disclosed
EP-0618923-A1 PEPTIDE NUCLEIC ACIDS AND THEIR EFFECT ON GENETIC MATERIAL GLAXO WELLCOME INC. (US) 1994-10-12 EP disclosed
WO-1993012129-A1 PEPTIDE NUCLEIC ACIDS AND THEIR EFFECT ON GENETIC MATERIAL GLAXO INC. (US) 1993-06-24 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 (3 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-20170166900-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS DTYMK, POLM, PNKP TDP1 615/4885PDE4A 2912/4885PDE4B 3557/4885
US-20170002355-A1 cGAP-PNA MULTIVALENT PEPTIDE NUCLEIC ACID LIGAND DISPLAY CGAS, STING1, IAPP TDP1 56/4885PDE4A 528/4885PDE4B 808/4885
US-20140148500-A1 PROGRAMMABLE SELF-ASSEMBLED NANOSTRUCTURES BASED ON SIDECHAIN-MODIFIED PNA FOR THE MULTIVALENT DISPLAY OF LIGANDS NCL, PARN, COIL TDP1 662/4885PDE4A 1813/4885PDE4B 2158/4885

“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.