SCHEMBL4122587

SCHEMBL4122587

COC(=O)c1c(C)c(C(=N)NO)cc(C(C)(C)C)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TNFRSF1A P19438 2/20 0.34
CISD2 Q8N5K1 2/20 0.33
POLB P06746 3/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
CYP46A1 Q9Y6A2 1/20 0.32
KDM4E B2RXH2 3/20 0.32
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32
PDE1A P54750 2/20 0.32
PDE1B Q01064 2/20 0.32
PDE1C Q14123 2/20 0.32

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
SCHEMBL4126176 0.79 TSHR (0.39) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4128093 0.77 TDP1 (0.43) ALDH1A1TDP1TNFRSF1APOLBHPGD
SCHEMBL4114975 0.76 ALDH1A1 (0.39) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4123787 0.75 MAPT (0.41) ALDH1A1TSHRPOLBKDM4EHSD17B10
SCHEMBL4121697 0.73 MAPT (0.44) ALDH1A1POLBSMN1; SMN2USP2HSD17B10
SCHEMBL4115886 0.73 SMN1; SMN2 (0.38) ALDH1A1TNFRSF1ACYP3A4KDM4ENOTUM
SCHEMBL4134212 0.73 ALDH1A1 (0.41) ALDH1A1CISD2NOTUMSMN1; SMN2
SCHEMBL4113737 0.73 TAS1R3 (0.39) ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4125830 0.73 GAA (0.41) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4117083 0.71 PTGS1 (0.39) ALDH1A1TNFRSF1ACYP3A4HPGDKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
CN-101218201-A Benzoic acid derivatives as GlyR modulators or agonists ASTRAZENECA AB (SE) 2008-07-09 CN disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 ADRA2A 133/4885ADRA2C 203/4885ADRA1D 230/4885

“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.