SCHEMBL532568

SCHEMBL532568

Cc1cc(C(=O)NC2CC2)ccc1N1CCN(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.51
POLB P06746 2/20 0.50
HTR7 P34969 3/20 0.47
TNK2 Q07912 1/20 0.47
TNK1 Q13470 1/20 0.47
HTT P42858 1/20 0.47
MAPK14 Q16539 4/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CNR2 P34972 2/20 0.44
SMYD3 Q9H7B4 1/20 0.44

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
SCHEMBL12590352 0.86 POLB (0.66) PARP1POLBHTR7TNK2TNK1
SCHEMBL710576 0.85 LMNA (0.53) PARP1POLBCNR2
SCHEMBL531688 0.84 HTT (0.51) PARP1POLBHTR7HTT
SCHEMBL532087 0.84 PARP1 (0.52) PARP1POLBHTR7TNK2TNK1
Hydrochloric Acid SCHEMBL708544 0.82 PARP1 (0.51) PARP1POLBHTR7TNK2TNK1
SCHEMBL2773033 0.81 PARP1 (0.50) PARP1POLBHTR7TNK2TNK1
SCHEMBL25235110 0.79 NPC1 (0.54) POLBHTTCYP3A4CYP2C9
SCHEMBL23073609 0.79 HTR7 (0.50) PARP1POLBHTR7TNK2TNK1
SCHEMBL18063264 0.79 POLB (0.51) POLB
SCHEMBL14633519 0.77 KDM4E (0.51) POLBMAPK14CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415767-B1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP 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
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 1/4885POLB 25/4885HTR7 2590/4885

“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.