SCHEMBL4258343

SCHEMBL4258343

COc1ccc(C#N)cc1C=Cc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.53
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
MMP12 P39900 1/20 0.43
KDM4E B2RXH2 2/20 0.41
PARP1 P09874 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.39
ESRRA P11474 2/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL13932051 1.00 NR3C2 (0.53) NR3C2ALDH1A1MAPTPOLBMMP12
SCHEMBL13932132 0.84 NR3C2 (0.63) NR3C2ALDH1A1MAPTPOLBMMP12
SCHEMBL4258287 0.84 NR3C2 (0.63) NR3C2ALDH1A1MAPTPOLBMMP12
SCHEMBL4265122 0.83 NR3C2 (0.58) NR3C2ALDH1A1MAPTMMP12PARP1
SCHEMBL13932047 0.83 NR3C2 (0.58) NR3C2ALDH1A1MAPTMMP12PARP1
SCHEMBL705560 0.77 MMP12 (0.59) NR3C2ALDH1A1MAPTMMP12PARP1
SCHEMBL4263446 0.77 MAPT (0.59) NR3C2ALDH1A1MAPTPOLBMMP12
SCHEMBL13932043 0.77 MAPT (0.59) NR3C2ALDH1A1MAPTPOLBMMP12
SCHEMBL4271342 0.74 MAPT (0.57) NR3C2ALDH1A1MAPTPOLBMMP12
SCHEMBL13932053 0.74 MAPT (0.57) NR3C2ALDH1A1MAPTPOLBMMP12

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
CN-101365696-A Compounds and compositions as modulators of steroid hormone nuclear receptors IRM LLC (BM) 2009-02-11 CN 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

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 NR3C2 7/4885ALDH1A1 3483/4885MAPT 3273/4885

“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.