SCHEMBL531805

SCHEMBL531805

CC1Oc2ccc(CN3CCc4cc(Cl)ccc4C3)cc2NC1=O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.66
ACACB O00763 1/20 0.47
HTR7 P34969 1/20 0.41
ABCB1 P08183 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
DRD4 P21917 1/20 0.41
LTA4H P09960 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL531712 0.88 PARP1 (0.57) PARP1ACACBABCB1ABCG2PDE3B
SCHEMBL531919 0.88 PARP1 (0.65) PARP1DRD4ALDH1A1MAPTHSD17B10
SCHEMBL531707 0.87 PARP1 (0.56) PARP1HTR7ABCB1ABCG2DRD4
SCHEMBL531876 0.82 PARP1 (0.68) PARP1HTR7DRD4PDE3BPDE3A
SCHEMBL532658 0.80 PARP1 (0.59) PARP1HTR7PDE3BPDE3A
SCHEMBL532326 0.80 PARP1 (1.00) PARP1HTR7DRD4PDE3BPDE3A
SCHEMBL532372 0.80 PARP1 (1.00) PARP1HTR7DRD4PDE3BPDE3A
SCHEMBL532396 0.80 PARP1 (1.00) PARP1HTR7DRD4PDE3BPDE3A
SCHEMBL532482 0.78 PARP1 (0.81) PARP1DRD4
SCHEMBL532441 0.77 PARP1 (0.64) PARP1HTR7DRD4PDE3BPDE3A

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 1/4885ACACB 462/4885HTR7 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.