SCHEMBL531858

SCHEMBL531858

O=C1COc2ccc(CNc3ccccc3)cc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 1.00
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.51
MAOA P21397 1/20 0.51
MMP12 P39900 1/20 0.50
CYP3A4 P08684 2/20 0.49
PKM P14618 1/20 0.49
NR3C2 P08235 1/20 0.49
NSD2 O96028 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 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
SCHEMBL532518 0.85 PARP1 (1.00) PARP1DRD2DRD4DRD3KMT2A
SCHEMBL25922244 0.83 PARP1 (0.71) PARP1KMT2ATSHRMAOACYP3A4
SCHEMBL30270577 0.83 PARP1 (0.71) PARP1KMT2ATSHRMAOACYP3A4
SCHEMBL8191474 0.81 PARP1 (0.71) PARP1DRD2DRD4DRD3TSHR
SCHEMBL4258386 0.81 PARP1 (0.73) PARP1DRD2DRD4DRD3MAOA
SCHEMBL8182527 0.81 PARP1 (0.69) PARP1DRD2DRD4DRD3KMT2A
SCHEMBL4272979 0.81 PARP1 (0.73) PARP1DRD2DRD4DRD3MAOA
SCHEMBL4257167 0.78 PARP1 (0.70) PARP1DRD2DRD4DRD3KMT2A
SCHEMBL11002313 0.78 PARP1 (0.77) PARP1DRD2DRD4DRD3KMT2A
SCHEMBL14073051 0.77 PARP1 (0.70) PARP1DRD2DRD4DRD3KMT2A

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 7 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-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 1/4885DRD2 4579/4885DRD4 4620/4885

“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.