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SCHEMBL4127853

SCHEMBL4127853

Cc1c(Sc2ccc(Cl)c([N+](=O)[O-])c2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLRA3 O75311 1/20 0.40
▸ GLRB P48167 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ VCAM1 P19320 2/20 0.37
▸ TYMS P04818 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PLA2G4A P47712 1/20 0.35

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
SCHEMBL4127647 0.86 GLRA3 (0.47) GLRA3GLRBALDH1A1MAPTHTT
SCHEMBL4122654 0.84 MEN1 (0.46) GLRA3GLRBALDH1A1GAAMAPT
SCHEMBL4121656 0.82 KMT2A (0.42) GLRA3GLRBALDH1A1GAAMAPT
SCHEMBL4122724 0.82 PDE7A (0.47) GLRA3GLRBGAAMAPTHPGD
SCHEMBL4121706 0.81 GLRA3 (0.49) GLRA3GLRBALDH1A1GAAMAPT
SCHEMBL4122737 0.81 SMN1; SMN2 (0.43) GLRA3GLRBALDH1A1GAAMAPT
SCHEMBL4126598 0.81 GLRA3 (0.43) GLRA3GLRBMEN1KMT2ATYMS
SCHEMBL4123964 0.81 SLC6A2 (0.44) GLRA3GLRBALDH1A1GAAMAPT
SCHEMBL4121020 0.79 TXNRD1 (0.52) GLRA3GLRBALDH1A1GAAMAPT
SCHEMBL4128339 0.78 GLRA3 (0.51) GLRA3GLRBALDH1A1GAAMAPT

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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 — — US claimed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 — — EP claimed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 — — WO claimed
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 — — US 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 GLRA3 6/4885GLRB 2/4885ALDH1A1 1413/4885

“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.