SCHEMBL532497

SCHEMBL532497

CNC(=O)c1ccc(-c2ccc3c(c2)NC(=O)C(C)O3)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.59
SMYD3 Q9H7B4 4/20 0.55
CRBN Q96SW2 2/20 0.53
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
KDR P35968 1/20 0.48
OTUD7B Q6GQQ9 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 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
SCHEMBL531713 0.89 KDR (0.58) PARP1SMYD3CRBNPDE3BPDE3A
SCHEMBL532481 0.87 SMYD3 (0.54) PARP1SMYD3CRBNPDE3BPDE3A
SCHEMBL531868 0.85 SMYD3 (0.57) PARP1SMYD3PDE3BPDE3AKDR
SCHEMBL532546 0.83 SMYD3 (0.67) PARP1SMYD3PDE3BPDE3A
SCHEMBL531883 0.80 PDE3B (0.50) PARP1SMYD3PDE3BPDE3AKDR
SCHEMBL7001705 0.80 PARP1 (0.64) PARP1SMYD3PDE3BPDE3AKDR
SCHEMBL532007 0.78 KDR (0.53) PARP1SMYD3PDE3BPDE3AKDR
SCHEMBL19691113 0.77 SMYD3 (0.62) PARP1SMYD3PDE3BPDE3AKDR
SCHEMBL2882943 0.77 SMYD3 (0.62) PARP1SMYD3PDE3BPDE3AKDR
SCHEMBL2818354 0.77 SMYD3 (0.62) PARP1SMYD3PDE3BPDE3AKDR

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 7 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-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 PARP1 1/4885SMYD3 3712/4885CRBN 3265/4885

“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.