SCHEMBL531796

SCHEMBL531796

CN(C)C1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.62
L3MBTL3 Q96JM7 2/20 0.56
MGLL Q99685 1/20 0.55
LMNA P02545 1/20 0.54
NR3C2 P08235 9/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
NR3C1 P04150 3/20 0.51
PGR P06401 1/20 0.50
SMYD3 Q9H7B4 1/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL30541697 0.87 NR3C2 (0.53) PARP1MGLLLMNANR3C2GAA
SCHEMBL21074857 0.87 NR3C2 (0.53) PARP1MGLLLMNANR3C2GAA
SCHEMBL2121267 0.84 PARP1 (0.67) PARP1LMNANR3C2GAAALDH1A1
SCHEMBL12125761 0.83 PARP1 (0.66) PARP1LMNANR3C2GAAALDH1A1
SCHEMBL14072967 0.82 HPGD (0.65) MGLLLMNANR3C2GAAALDH1A1
SCHEMBL14072961 0.82 NR3C2 (0.61) MGLLLMNANR3C2GAAALDH1A1
SCHEMBL531974 0.81 PARP1 (0.62) PARP1MGLLLMNANR3C2GAA
SCHEMBL532062 0.81 NR3C2 (0.61) MGLLLMNANR3C2GAAALDH1A1
SCHEMBL30541688 0.81 NR3C2 (0.56) MGLLLMNANR3C2GAAALDH1A1
SCHEMBL21097482 0.81 NR3C2 (0.56) MGLLLMNANR3C2GAAALDH1A1

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 1/4885L3MBTL3 3802/4885MGLL 2958/4885

“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.