SCHEMBL531955

SCHEMBL531955

CC1Oc2ccc(C=CC(=O)O)cc2NC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.55
PARP1 P09874 4/20 0.49
KDM4E B2RXH2 5/20 0.46
SMYD3 Q9H7B4 2/20 0.46
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
PTGS2 P35354 3/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
HDAC3 O15379 1/20 0.41
CA12 O43570 1/20 0.41
AKR1B10 O60218 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
TTR P02766 1/20 0.41
MMP1 P03956 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
SCHEMBL531954 1.00 ALOX5 (0.55) ALOX5PARP1KDM4ESMYD3PDE3B
SCHEMBL6996421 0.88 PARP1 (0.48) ALOX5PARP1SMYD3PDE3BPDE3A
SCHEMBL6996415 0.88 PARP1 (0.48) ALOX5PARP1SMYD3PDE3BPDE3A
SCHEMBL10222486 0.83 ALOX5 (0.62) ALOX5PARP1SMYD3CA12CA1
SCHEMBL532347 0.80 PARP1 (0.57) PARP1SMYD3PDE3BPDE3AALDH1A1
SCHEMBL5342897 0.80 PARP1 (0.57) PARP1SMYD3PDE3BPDE3AALDH1A1
SCHEMBL5188341 0.80 PARP1 (0.57) PARP1SMYD3PDE3BPDE3AALDH1A1
SCHEMBL13863089 0.80 PARP1 (0.53) PARP1SMYD3PDE3BPDE3AGAA
SCHEMBL6999639 0.79 PARP1 (0.49) PARP1SMYD3PDE3BPDE3AALDH1A1
SCHEMBL7711338 0.79 PARP1 (0.52) ALOX5PARP1KDM4ESMYD3PDE3B

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 3 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-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

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 ALOX5 1137/4885PARP1 1/4885KDM4E 2176/4885

“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.