SCHEMBL532007

SCHEMBL532007

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.53
PARP1 P09874 3/20 0.50
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
SMYD3 Q9H7B4 2/20 0.49
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
BRD4 O60885 1/20 0.45
KMO O15229 1/20 0.44
TDP2 O95551 1/20 0.43
KEAP1 Q14145 1/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
UBE2I P63279 1/20 0.41

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
SCHEMBL532744 0.89 KDR (0.52) KDRPARP1PDE3BPDE3ASMYD3
SCHEMBL531713 0.87 KDR (0.58) KDRPARP1PDE3BPDE3ASMYD3
SCHEMBL7001705 0.85 PARP1 (0.64) KDRPARP1PDE3BPDE3ASMYD3
SCHEMBL2818354 0.85 SMYD3 (0.62) KDRPARP1PDE3BPDE3ASMYD3
SCHEMBL2882943 0.85 SMYD3 (0.62) KDRPARP1PDE3BPDE3ASMYD3
SCHEMBL532077 0.84 KDR (0.55) KDRPARP1PDE3BPDE3ASMYD3
SCHEMBL532019 0.83 POLB (0.51) KDRPARP1PDE3BPDE3ASMYD3
SCHEMBL531913 0.83 PARP1 (0.59) KDRPARP1SMYD3GAALMNA
SCHEMBL531822 0.81 HPGD (0.56) KDRPARP1PDE3BPDE3ASMYD3
SCHEMBL531866 0.80 KDR (0.48) KDRPARP1PDE3BPDE3ASMYD3

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 11 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
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-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 KDR 1627/4885PARP1 1/4885PDE3B 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.