SCHEMBL532792

SCHEMBL532792

CCN(Cc1ccccc1)Cc1ccc2c(c1)NC(=O)C(C)O2

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.65
HSD17B10 Q99714 3/20 0.49
MAPK1 P28482 3/20 0.49
ALOX15 P16050 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.46
LTA4H P09960 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
BCHE P06276 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
TSHR P16473 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
SCHEMBL531431 0.88 PARP1 (0.68) PARP1HSD17B10MAPK1ALOX15HTT
SCHEMBL532511 0.82 PARP1 (0.61) PARP1HSD17B10MAPK1ALOX15ALDH1A1
SCHEMBL7003692 0.82 PARP1 (0.74) PARP1HSD17B10ALOX15PDE3BPDE3A
SCHEMBL531857 0.81 PARP1 (0.63) PARP1HSD17B10MAPK1ALOX15HTT
SCHEMBL532670 0.79 HSD17B10 (0.57) PARP1HSD17B10MAPK1ALOX15HTT
SCHEMBL5967473 0.79 PARP1 (0.65) PARP1MAPK1L3MBTL1PDE3BPDE3A
SCHEMBL12235342 0.79 PARP1 (0.65) PARP1MAPK1L3MBTL1PDE3BPDE3A
SCHEMBL5967448 0.79 PARP1 (0.65) PARP1MAPK1L3MBTL1PDE3BPDE3A
SCHEMBL532477 0.79 PARP1 (1.00) PARP1HSD17B10ALOX15PDE3BPDE3A
SCHEMBL7713376 0.79 PARP1 (0.56) PARP1HSD17B10MAPK1ALOX15HTT

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 1897/4885MAPK1 2862/4885

“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.