SCHEMBL532546

SCHEMBL532546

CC1Oc2ccc(-c3ccc(C(=O)NC4CCCCC4)cc3)cc2NC1=O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.67
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
GAA P10253 2/20 0.49
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
PARP1 P09874 3/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL532497 0.83 PARP1 (0.59) SMYD3PDE3BPDE3APARP1
SCHEMBL23575999 0.81 SMYD3 (1.00) SMYD3MEN1KMT2AGAA
SCHEMBL19710411 0.81 SMYD3 (1.00) SMYD3MEN1KMT2AGAA
SCHEMBL532481 0.80 SMYD3 (0.54) SMYD3GAAPDE3BPDE3APARP1
SCHEMBL531868 0.78 SMYD3 (0.57) SMYD3PDE3BPDE3APARP1
SCHEMBL17591785 0.77 SMYD3 (0.72) SMYD3MEN1KMT2AGAANPC1
SCHEMBL21490153 0.77 SMYD3 (0.72) SMYD3MEN1KMT2AGAANPC1
SCHEMBL17591784 0.77 SMYD3 (0.72) SMYD3MEN1KMT2AGAANPC1
SCHEMBL19710225 0.76 SMYD3 (1.00) SMYD3GAA
SCHEMBL21489773 0.76 SMYD3 (1.00) SMYD3GAA

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 SMYD3 3712/4885MEN1 3624/4885KMT2A 1732/4885

“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.