SCHEMBL531902

SCHEMBL531902

Cc1c(CN2CC=C(c3ccc(Cl)cc3)CC2)ccc2c1NC(=O)C(C)O2

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.67
SIGMAR1 Q99720 6/20 0.40
HTR7 P34969 1/20 0.40
HTR1A P08908 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
IKZF1 Q13422 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
SCHEMBL531950 0.82 PARP1 (0.74) PARP1SIGMAR1HTR7HTR1AKDM4E
SCHEMBL532085 0.81 PARP1 (0.47) PARP1SIGMAR1HTR7HTR1AKDM4E
SCHEMBL532045 0.80 PARP1 (0.74) PARP1SIGMAR1HTR7HTR1APDE3B
SCHEMBL532396 0.80 PARP1 (1.00) PARP1SIGMAR1HTR7PDE3BPDE3A
SCHEMBL532372 0.80 PARP1 (1.00) PARP1SIGMAR1HTR7PDE3BPDE3A
SCHEMBL532326 0.80 PARP1 (1.00) PARP1SIGMAR1HTR7PDE3BPDE3A
SCHEMBL531944 0.80 PARP1 (0.52) PARP1HTR7HTR1AMEN1MAPT
SCHEMBL531759 0.78 PARP1 (1.00) PARP1SIGMAR1HTR7HTR1APDE3B
SCHEMBL532877 0.75 PARP1 (0.74) PARP1HTR7
SCHEMBL532120 0.74 PARP1 (0.75) PARP1SIGMAR1HTR7HTR1AMEN1

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 14 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 claimed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US claimed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP claimed
EP-2415767-B1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
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-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 1/4885SIGMAR1 4539/4885HTR7 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.