SCHEMBL532865

SCHEMBL532865

CC1Oc2ccc(Cn3ncc4ccccc43)cc2NC1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.54
RECQL P46063 1/20 0.46
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
DAO P14920 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOB P27338 1/20 0.37
ADORA2A P29274 1/20 0.37
ADRA2A P08913 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL531875 0.80 PARP1 (0.60) PARP1PDE3BPDE3AMAOBADORA2A
SCHEMBL531692 0.77 PARP1 (0.54) PARP1PDE3BPDE3AMAOBADORA2A
SCHEMBL531876 0.74 PARP1 (0.68) PARP1PDE3BPDE3ASMYD3ALDH1A1
SCHEMBL6997788 0.74 PARP1 (0.64) PARP1PDE3BPDE3ASMYD3
SCHEMBL7003692 0.73 PARP1 (0.74) PARP1PDE3BPDE3AMAOBADORA2A
SCHEMBL12235342 0.72 PARP1 (0.65) PARP1PDE3BPDE3ASMYD3
SCHEMBL5967448 0.72 PARP1 (0.65) PARP1PDE3BPDE3ASMYD3
SCHEMBL5967473 0.72 PARP1 (0.65) PARP1PDE3BPDE3ASMYD3
SCHEMBL15998628 0.71 PARP1 (0.61) PARP1PDE3BPDE3ASMYD3ALDH1A1
SCHEMBL6996778 0.71 PARP1 (0.54) PARP1

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 1/4885RECQL 194/4885PDE3B 1682/4885

“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.