SCHEMBL532908

SCHEMBL532908

CC1Oc2ccc(CN(C)Cc3cccnc3)cc2NC1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.55
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
NR3C2 P08235 1/20 0.42
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
ACHE P22303 1/20 0.40
MAOB P27338 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
GSK3B P49841 1/20 0.40
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL531573 0.86 PARP1 (0.53) PARP1HSD17B10PDE3BPDE3AACHE
SCHEMBL531431 0.86 PARP1 (0.68) PARP1HSD17B10TSHRPDE3BPDE3A
SCHEMBL6992019 0.86 PARP1 (0.51) PARP1HSD17B10MAPTTSHRNR3C2
SCHEMBL6992017 0.83 PARP1 (0.75) PARP1HSD17B10MAPTTSHRPDE3B
SCHEMBL531695 0.82 PARP1 (0.57) PARP1HSD17B10PDE3BPDE3AACHE
SCHEMBL532511 0.81 PARP1 (0.61) PARP1HSD17B10PDE3BPDE3AALOX15
SCHEMBL531869 0.81 PARP1 (0.55) PARP1HSD17B10PDE3BPDE3AALOX15
SCHEMBL532437 0.81 PARP1 (0.54) PARP1HSD17B10NR3C2PDE3BPDE3A
SCHEMBL532821 0.79 PARP1 (0.52) PARP1HSD17B10PDE3BPDE3AACHE
SCHEMBL6989624 0.79 PARP1 (0.52) PARP1HSD17B10NR3C2PDE3BPDE3A

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 1/4885HSD17B10 1897/4885MAPT 2713/4885

“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.