SCHEMBL4259329

SCHEMBL4259329

O=C1COc2ccc(CCc3cccc(-c4ccccc4)c3)cc2N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.65
NR3C2 P08235 3/20 0.57
DRD2 P14416 4/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
HTR1A P08908 7/20 0.52
HTR1D P28221 5/20 0.52
HTR1B P28222 5/20 0.52
SLC6A4 P31645 5/20 0.52
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MMP12 P39900 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL4272979 0.91 PARP1 (0.73) PARP1NR3C2DRD2DRD4DRD3
SCHEMBL11002313 0.86 PARP1 (0.77) PARP1NR3C2DRD2DRD4DRD3
SCHEMBL4257167 0.85 PARP1 (0.70) PARP1NR3C2DRD2DRD4DRD3
SCHEMBL304764 0.83 MAPT (0.62) PARP1NR3C2ALDH1A1MAPTMMP12
SCHEMBL20614334 0.83 MMP12 (0.65) PARP1NR3C2DRD2DRD4DRD3
SCHEMBL4263455 0.83 PARP1 (0.60) PARP1NR3C2DRD2DRD4DRD3
SCHEMBL7132 0.83 NR3C2 (0.72) PARP1NR3C2DRD2DRD4DRD3
SCHEMBL4258386 0.82 PARP1 (0.73) PARP1NR3C2DRD2DRD4DRD3
SCHEMBL4934583 0.81 PARP1 (0.53) PARP1NR3C2ALDH1A1MAPTMAPK1
SCHEMBL4273023 0.80 PARP1 (0.56) PARP1NR3C2DRD2DRD4DRD3

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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US claimed
JP-2008508314-A 2008-03-21 JP claimed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP claimed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 WO claimed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US disclosed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US disclosed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US 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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 PARP1 4095/4885NR3C2 7/4885DRD2 3831/4885

“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.