SCHEMBL531875

SCHEMBL531875

CC1Oc2ccc(Cn3cc4ccccc4c3)cc2NC1=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.60
SMYD3 Q9H7B4 3/20 0.42
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL532954 0.84 PARP1 (0.48) PARP1SMYD3PDE3BPDE3A
SCHEMBL531692 0.82 PARP1 (0.54) PARP1SMYD3PDE3BPDE3AMAOB
SCHEMBL532865 0.80 PARP1 (0.54) PARP1SMYD3PDE3BPDE3AMAOB
SCHEMBL531876 0.80 PARP1 (0.68) PARP1SMYD3PDE3BPDE3AHTR1A
SCHEMBL6996778 0.79 PARP1 (0.54) PARP1
SCHEMBL7003692 0.78 PARP1 (0.74) PARP1SMYD3PDE3BPDE3AMAOB
SCHEMBL12235342 0.77 PARP1 (0.65) PARP1SMYD3PDE3BPDE3A
SCHEMBL5967448 0.77 PARP1 (0.65) PARP1SMYD3PDE3BPDE3A
SCHEMBL5967473 0.77 PARP1 (0.65) PARP1SMYD3PDE3BPDE3A
SCHEMBL5189907 0.76 PARP1 (0.64) PARP1SMYD3PDE3BPDE3AMAOB

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 3 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-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

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 1/4885SMYD3 3712/4885PDE3B 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.