SCHEMBL531797

SCHEMBL531797

COC(=O)COc1ccc(C(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ALDH1A1 P00352 8/20 0.55
LMNA P02545 4/20 0.55
KMT2A Q03164 7/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PLA2G4B P0C869 1/20 0.48
PRSS1 P07477 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
HPGD P15428 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL532856 0.89 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL27732122 0.87 POLB (0.58) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL2698554 0.86 KMT2A (0.61) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL4173816 0.83 MAPT (0.51) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL10504393 0.83 PTGS2 (0.54) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL2339687 0.83 POLB (0.73) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL6708261 0.82 MEN1 (0.47) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL4180130 0.82 MAPT (0.51) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL16388497 0.82 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL13981920 0.82 MEN1 (0.47) ALDH1A1LMNAKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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 (1 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-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 POLB 25/4885ALDH1A1 445/4885LMNA 173/4885

“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.