SCHEMBL532530

SCHEMBL532530

O=C1COc2ccc(C(=O)CN3CCC(c4ccccc4)CC3)cc2N1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.68
HTR1D P28221 2/20 0.58
HTR1A P08908 1/20 0.57
HTR1B P28222 1/20 0.57
ALDH1A1 P00352 5/20 0.56
MAPT P10636 3/20 0.56
DRD2 P14416 3/20 0.55
DRD4 P21917 3/20 0.55
GAA P10253 3/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
PKM P14618 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NR3C2 P08235 2/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL5659998 0.86 ALDH1A1 (0.59) PARP1HTR1DHTR1AHTR1BALDH1A1
SCHEMBL531974 0.84 PARP1 (0.62) PARP1ALDH1A1MAPTDRD2DRD4
SCHEMBL2121267 0.82 PARP1 (0.67) PARP1HTR1DHTR1AHTR1BALDH1A1
SCHEMBL5774571 0.82 ALDH1A1 (0.61) HTR1DHTR1AHTR1BALDH1A1MAPT
SCHEMBL532439 0.82 ALDH1A1 (0.64) HTR1DHTR1AHTR1BALDH1A1MAPT
SCHEMBL532442 0.81 PARP1 (1.00) PARP1HTR1DDRD2DRD4
SCHEMBL532718 0.79 PARP1 (0.80) PARP1HTR1DHTR1AHTR1BDRD2
SCHEMBL4293605 0.76 ALDH1A1 (0.68) PARP1ALDH1A1MAPTGAALMNA
SCHEMBL6906959 0.74 PARP1 (0.84) PARP1HTR1ADRD2DRD4
SCHEMBL4724873 0.74 ALDH1A1 (0.73) PARP1ALDH1A1MAPTGAALMNA

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 1/4885HTR1D 3931/4885HTR1A 2476/4885

“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.