SCHEMBL4258386

SCHEMBL4258386

O=C1COc2ccc(Cc3ccccc3)cc2N1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.73
DRD4 P21917 3/20 0.60
DRD2 P14416 2/20 0.60
DRD3 P35462 2/20 0.60
GAA P10253 1/20 0.55
MMP12 P39900 1/20 0.55
NR3C2 P08235 3/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
MAOA P21397 1/20 0.49
TP53 P04637 1/20 0.49

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 0.88 PARP1 (0.73) PARP1DRD4DRD2DRD3GAA
SCHEMBL4267824 0.87 PARP1 (0.62) PARP1DRD4DRD2DRD3GAA
SCHEMBL4257167 0.86 PARP1 (0.70) PARP1DRD4DRD2DRD3GAA
SCHEMBL532518 0.85 PARP1 (1.00) PARP1DRD4DRD2DRD3GAA
SCHEMBL11002313 0.83 PARP1 (0.77) PARP1DRD4DRD2DRD3MMP12
SCHEMBL4259329 0.82 PARP1 (0.65) PARP1DRD4DRD2DRD3GAA
SCHEMBL531858 0.81 PARP1 (1.00) PARP1DRD4DRD2DRD3GAA
SCHEMBL6030559 0.81 PARP1 (0.68) PARP1DRD4DRD2DRD3MMP12
SCHEMBL351961 0.80 PARP1 (0.72) PARP1DRD4DRD2DRD3MMP12
SCHEMBL554735 0.80 PARP1 (0.72) PARP1DRD4DRD2DRD3MMP12

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 6 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

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 4095/4885DRD4 3359/4885DRD2 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.