SCHEMBL532437

SCHEMBL532437

CC1Oc2ccc(CN(C)Cc3ccc(F)cc3)cc2NC1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.54
DAO P14920 1/20 0.45
NR3C2 P08235 2/20 0.43
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMYD3 Q9H7B4 2/20 0.39
TP53 P04637 1/20 0.37
PYCR1 P32322 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CASP3 P42574 1/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 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
SCHEMBL531431 0.89 PARP1 (0.68) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL531869 0.88 PARP1 (0.55) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL531573 0.87 PARP1 (0.53) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL532821 0.86 PARP1 (0.52) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL532511 0.86 PARP1 (0.61) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL531695 0.82 PARP1 (0.57) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL532840 0.82 PARP1 (0.56) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL6995652 0.81 PARP1 (0.80) PARP1PDE3BPDE3ASMYD3TP53
SCHEMBL7708149 0.81 PARP1 (0.45) PARP1DAOPDE3BPDE3AALOX15
SCHEMBL532844 0.81 PARP1 (0.55) PARP1PDE3BPDE3AALOX15HSD17B10

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 8 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
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 1/4885DAO 2860/4885NR3C2 4674/4885

“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.