SCHEMBL532019

SCHEMBL532019

CC1Oc2ccc(-c3cccc(C(=O)N4CCCC4)c3)cc2NC1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
KDR P35968 1/20 0.48
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
ERN1 O75460 1/20 0.46
ABL1 P00519 2/20 0.45
BRD4 O60885 2/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
SMYD3 Q9H7B4 3/20 0.44
PARP1 P09874 2/20 0.43
CRBN Q96SW2 1/20 0.43
CREBBP Q92793 1/20 0.42

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
SCHEMBL531822 0.92 HPGD (0.56) POLBKDRPDE3BPDE3AERN1
SCHEMBL532007 0.83 KDR (0.53) POLBKDRPDE3BPDE3ABRD4
SCHEMBL532744 0.82 KDR (0.52) KDRPDE3BPDE3AERN1ABL1
SCHEMBL532605 0.82 POLB (0.53) POLBPDE3BPDE3AABL1HPGD
SCHEMBL531713 0.80 KDR (0.58) KDRPDE3BPDE3ABRD4SMYD3
SCHEMBL532077 0.77 KDR (0.55) KDRPDE3BPDE3ASMYD3PARP1
SCHEMBL7001705 0.76 PARP1 (0.64) KDRPDE3BPDE3AMEN1KMT2A
SCHEMBL25602693 0.74 POLB (0.53) POLBERN1BRD4HPGDMEN1
SCHEMBL531913 0.74 PARP1 (0.59) POLBKDRERN1HPGDRAB9A
SCHEMBL531866 0.73 KDR (0.48) KDRPDE3BPDE3ABRD4MEN1

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 POLB 25/4885KDR 1627/4885PDE3B 1682/4885

“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.