SCHEMBL532883

SCHEMBL532883

O=C1Nc2cc(CN3CC=C(c4ccccc4)CC3)ccc2OC1F

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.65
DRD4 P21917 4/20 0.53
DRD2 P14416 2/20 0.53
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
IKZF1 Q13422 1/20 0.43
CASP1 P29466 1/20 0.42
HBB P68871 1/20 0.42
HTR1A P08908 1/20 0.41
DRD3 P35462 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL531893 0.91 PARP1 (0.66) PARP1DRD4DRD2MEN1KMT2A
SCHEMBL531734 0.90 PARP1 (0.79) PARP1DRD4DRD2IKZF1HTR1A
SCHEMBL531959 0.88 PARP1 (0.82) PARP1DRD4DRD2KDM4EMAPT
SCHEMBL532419 0.80 PARP1 (0.82) PARP1MEN1KMT2A
SCHEMBL532372 0.78 PARP1 (1.00) PARP1DRD4DRD2DRD3
SCHEMBL532326 0.78 PARP1 (1.00) PARP1DRD4DRD2DRD3
SCHEMBL532396 0.78 PARP1 (1.00) PARP1DRD4DRD2DRD3
SCHEMBL532509 0.78 PARP1 (0.77) PARP1DRD4DRD2KDM4EMEN1
SCHEMBL2122366 0.77 PARP1 (1.00) PARP1DRD4DRD2KDM4EDRD3
SCHEMBL2122722 0.73 PARP1 (0.82) PARP1DRD4DRD2MEN1KMT2A

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 8 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
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 1/4885DRD4 4620/4885DRD2 4579/4885

“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.