SCHEMBL532955

SCHEMBL532955

CC1Oc2ccc(CN3Cc4ccc([N+](=O)[O-])cc4C3)cc2NC1=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.57
KMT2A Q03164 5/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL531876 0.84 PARP1 (0.68) PARP1MAPTALDH1A1PDE3BPDE3A
SCHEMBL532658 0.84 PARP1 (0.59) PARP1PDE3BPDE3A
SCHEMBL531815 0.82 PARP1 (0.68) PARP1KMT2AMAPTMEN1ALDH1A1
SCHEMBL2101407 0.79 PARP1 (0.54) PARP1KMT2AMAPTMEN1ALDH1A1
SCHEMBL2100537 0.79 PARP1 (0.54) PARP1KMT2AMAPTMEN1ALDH1A1
SCHEMBL3590372 0.79 PARP1 (0.54) PARP1KMT2AMAPTMEN1ALDH1A1
SCHEMBL532954 0.79 PARP1 (0.48) PARP1KMT2AMAPTMEN1ALDH1A1
SCHEMBL532049 0.79 PARP1 (0.53) PARP1KMT2AMEN1ALDH1A1
SCHEMBL531919 0.78 PARP1 (0.65) PARP1KMT2AMAPTMEN1ALDH1A1
SCHEMBL533095 0.77 PARP1 (0.53) PARP1KMT2A

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-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

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 PARP1 1/4885KMT2A 1732/4885MAPT 2713/4885

“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.