SCHEMBL531734

SCHEMBL531734

O=C1Nc2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)ccc2OC1F

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.79
DRD4 P21917 6/20 0.44
DRD2 P14416 4/20 0.44
DRD3 P35462 3/20 0.44
EGLN1 Q9GZT9 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC4 P56524 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
IKZF1 Q13422 1/20 0.40

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) PARP1DRD4DRD2MAPK1HTR1A
SCHEMBL532883 0.90 PARP1 (0.65) PARP1DRD4DRD2DRD3HDAC4
SCHEMBL532372 0.89 PARP1 (1.00) PARP1DRD4DRD2DRD3EGLN1
SCHEMBL532326 0.89 PARP1 (1.00) PARP1DRD4DRD2DRD3EGLN1
SCHEMBL532396 0.89 PARP1 (1.00) PARP1DRD4DRD2DRD3EGLN1
SCHEMBL2122366 0.87 PARP1 (1.00) PARP1DRD4DRD2DRD3EGLN1
SCHEMBL532506 0.81 PARP1 (1.00) PARP1DRD4DRD2DRD3SIGMAR1
SCHEMBL532419 0.81 PARP1 (0.82) PARP1MAPK1
SCHEMBL531759 0.81 PARP1 (1.00) PARP1DRD4DRD2DRD3EGLN1
SCHEMBL531684 0.79 PARP1 (0.63) PARP1DRD4DRD2DRD3

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.