SCHEMBL4271023

SCHEMBL4271023

Cc1ccc(CCc2ccc3c(c2)NC(=O)CO3)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.70
PARP1 P09874 4/20 0.69
DRD2 P14416 6/20 0.63
DRD4 P21917 6/20 0.63
DRD3 P35462 4/20 0.63
NR3C2 P08235 2/20 0.62
RAB9A P51151 2/20 0.58
PKM P14618 1/20 0.58
LMNA P02545 1/20 0.54
THRB P10828 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
HTR1A P08908 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
SLC6A4 P31645 1/20 0.50

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
SCHEMBL11002313 0.91 PARP1 (0.77) MMP12PARP1DRD2DRD4DRD3
SCHEMBL20614334 0.88 MMP12 (0.65) MMP12PARP1DRD2DRD4DRD3
SCHEMBL4264604 0.87 PARP1 (0.68) MMP12PARP1DRD2DRD4DRD3
SCHEMBL4261980 0.87 MMP12 (0.64) MMP12PARP1DRD2DRD4DRD3
SCHEMBL4272979 0.87 PARP1 (0.73) MMP12PARP1DRD2DRD4DRD3
SCHEMBL4263588 0.86 PARP1 (0.65) MMP12PARP1DRD2DRD4DRD3
SCHEMBL12844300 0.85 PARP1 (0.78) MMP12PARP1DRD2DRD4DRD3
SCHEMBL31033201 0.85 PARP1 (0.78) MMP12PARP1DRD2DRD4DRD3
SCHEMBL4266634 0.85 DRD4 (0.65) MMP12PARP1DRD2DRD4DRD3
SCHEMBL4261163 0.85 PARP1 (0.64) MMP12PARP1DRD2DRD4DRD3

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 MMP12 2999/4885PARP1 4095/4885DRD2 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.