SCHEMBL531883

SCHEMBL531883

CC(=O)Nc1ccc(-c2ccc3c(c2)NC(=O)C(C)O3)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.50
PDE3A Q14432 3/20 0.50
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PARP1 P09874 4/20 0.47
SMYD3 Q9H7B4 3/20 0.47
TSHR P16473 1/20 0.46
KDR P35968 1/20 0.46
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
HSD17B10 Q99714 1/20 0.42
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NQO2 P16083 2/20 0.40
OTUD7B Q6GQQ9 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
SCHEMBL531866 0.89 KDR (0.48) PDE3BPDE3ASMN1; SMN2PARP1SMYD3
SCHEMBL532497 0.80 PARP1 (0.59) PDE3BPDE3APARP1SMYD3KDR
SCHEMBL7001705 0.80 PARP1 (0.64) PDE3BPDE3APARP1SMYD3KDR
SCHEMBL531868 0.80 SMYD3 (0.57) PDE3BPDE3APARP1SMYD3KDR
SCHEMBL31054234 0.78 PARP1 (0.55) PDE3BPDE3ASMN1; SMN2PARP1SMYD3
SCHEMBL532481 0.77 SMYD3 (0.54) PDE3BPDE3APARP1SMYD3KDR
SCHEMBL13545295 0.76 PARP1 (0.57) PDE3BPDE3APARP1SMYD3TSHR
SCHEMBL13545255 0.76 PARP1 (0.57) PDE3BPDE3APARP1SMYD3TSHR
SCHEMBL531891 0.75 PARP1 (0.74) PARP1
SCHEMBL532007 0.75 KDR (0.53) PDE3BPDE3AL3MBTL1PARP1SMYD3

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 PDE3B 1682/4885PDE3A 1463/4885HTT 2124/4885

“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.