SCHEMBL531976

SCHEMBL531976

CCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.73
DRD4 P21917 8/20 0.58
DRD2 P14416 7/20 0.56
DRD3 P35462 5/20 0.56
TNK1 Q13470 1/20 0.54
HTR1A P08908 3/20 0.52
HTR1D P28221 2/20 0.52
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
HTR2A P28223 1/20 0.50
ADRA1B P35368 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HTR1B P28222 1/20 0.49
SLC6A4 P31645 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL531993 0.85 PARP1 (1.00) PARP1TNK1
SCHEMBL532169 0.84 PARP1 (0.64) PARP1TNK1
SCHEMBL6910043 0.82 DRD4 (0.74) PARP1DRD4DRD2DRD3HTR1A
SCHEMBL6909127 0.79 DRD2 (0.74) PARP1DRD4DRD2DRD3HTR1A
SCHEMBL532272 0.76 PARP1 (0.75) PARP1DRD4DRD2TNK1
SCHEMBL533153 0.75 PARP1 (1.00) PARP1
SCHEMBL6962786 0.75 DRD4 (0.80) PARP1DRD4DRD2DRD3HTR1A
SCHEMBL15988344 0.74 PARP1 (0.69) PARP1TNK1
SCHEMBL6909507 0.74 DRD4 (1.00) PARP1DRD4DRD2DRD3HTR1A
SCHEMBL532342 0.73 PARP1 (0.86) 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 1/4885DRD4 4620/4885DRD2 4579/4885

“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.