SCHEMBL531587

SCHEMBL531587

O=C(O)c1ccc2oc(=O)ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 2/20 0.54
PDE3B Q13370 1/20 0.54
TTR P02766 8/20 0.43
TP53 P04637 2/20 0.43
TBXAS1 P24557 1/20 0.43
MGAM O43451 1/20 0.40
P4HA1 P13674 3/20 0.39
P4HTM Q9NXG6 2/20 0.39
ALB P02768 1/20 0.38
MAOA P21397 1/20 0.38
CNR1 P21554 1/20 0.38
DRD1 P21728 1/20 0.38
OPRD1 P41143 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
MIF P14174 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL30388813 0.74 CA12 (0.59) TP53MAPTTDP1KDM4E
SCHEMBL15660345 0.74 CHRNA7 (0.49) PDE3ATTRTP53TBXAS1MGAM
SCHEMBL182523 0.74 PDE3B (0.58) PDE3APDE3BTP53MAOAMAPT
SCHEMBL1100153 0.74 CA12 (0.59) TP53MAPTTDP1KDM4E
Hydrochloric Acid SCHEMBL23294784 0.72 CA12 (0.58) TP53MAPTTDP1KDM4E
SCHEMBL8787024 0.72 PDE3B (0.45) PDE3APDE3BMAPTTDP1POLB
SCHEMBL10691670 0.72 ALDH1A1 (0.48) MAPTTDP1POLBMIFKDM4E
SCHEMBL7410565 0.72 PIM1 (0.66) TP53TBXAS1MAPTTDP1KDM4E
SCHEMBL11266285 0.71 MAOA (0.71) TP53MAOAMAPTKDM4E
SCHEMBL16714021 0.70 TTR (0.49) PDE3ATTRTP53TBXAS1ALB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415767-B1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP 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
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 PDE3A 1463/4885PDE3B 1682/4885TTR 4692/4885

“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.