SCHEMBL5123577

SCHEMBL5123577

O=C(CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.57
PABPC1 P11940 2/20 0.57
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 3/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
S1PR1 P21453 1/20 0.53
HTT P42858 1/20 0.53
RAD52 P43351 1/20 0.53
RECQL P46063 1/20 0.53
RAB9A P51151 1/20 0.53
PAX8 Q06710 1/20 0.53
NTRK1 P04629 1/20 0.52
NGFR P08138 1/20 0.52
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 3/20 0.51
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL5127095 0.84 MEN1 (0.59) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL4100436 0.84 FTO (0.60) FTOPABPC1MEN1KMT2APOLB
SCHEMBL5116172 0.81 MEN1 (0.66) FTOPABPC1MEN1KMT2APOLB
SCHEMBL5125589 0.80 KLK7 (0.51) FTOMEN1KMT2APOLBMAPT
SCHEMBL8984675 0.77 FTO (0.61) FTOPABPC1MEN1KMT2APOLB
SCHEMBL7703786 0.76 MEN1 (0.67) FTOPABPC1MEN1KMT2APOLB
SCHEMBL20591966 0.76 KMT2A (0.71) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL1901643 0.76 FTO (0.72) FTOPABPC1MEN1KMT2APOLB
SCHEMBL13495360 0.75 FTO (0.61) FTOPABPC1MEN1KMT2APOLB
SCHEMBL5120849 0.75 FTO (0.68) FTOPABPC1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080138817-A1 Novel Functional Peptide Nucleic Acid Monomer and Process for Producing the Same CREDIA JAPAN CO., LTD. (JP) 2008-06-12 US disclosed
US-20080138817-A1 Novel Functional Peptide Nucleic Acid Monomer and Process for Producing the Same CREDIA JAPAN CO., LTD. (JP) 2008-06-12 US disclosed
US-20080138817-A1 Novel Functional Peptide Nucleic Acid Monomer and Process for Producing the Same CREDIA JAPAN CO., LTD. (JP) 2008-06-12 US disclosed
US-7282575-B2 Functional peptide nucleic acid monomer and process for producing the same CREDIA JAPAN CO., LTD. (JP) 2007-10-16 US disclosed
US-7282575-B2 Functional peptide nucleic acid monomer and process for producing the same CREDIA JAPAN CO., LTD. (JP) 2007-10-16 US disclosed
US-7282575-B2 Functional peptide nucleic acid monomer and process for producing the same CREDIA JAPAN CO., LTD. (JP) 2007-10-16 US disclosed
US-20040101839-A1 Novel functional peptide nucleic acid monomer and process for producing the same CREDIA JAPAN CO., LTD. (JP) 2004-05-27 US disclosed
EP-1357112-A1 NOVEL FUNCTIONAL PEPTIDE NUCLEIC ACID MONOMER AND PROCESS FOR PRODUCING THE SAME Applied Biosystems Japan Ltd. (JP) 2003-10-29 EP 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 (2 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-20040101839-A1 Novel functional peptide nucleic acid monomer and process for producing the same NSUN3, NSUN2, RNGTT FTO 2521/4885PABPC1 114/4885MEN1 1593/4885
US-20080138817-A1 Novel Functional Peptide Nucleic Acid Monomer and Process for Producing the Same NSUN3, RNGTT, NSUN2 FTO 1123/4885PABPC1 404/4885MEN1 3066/4885

“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.