SCHEMBL4113993

SCHEMBL4113993

Cc1c(C(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GALR3 O60755 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4113584 0.83 GLRA3 (0.54) ALDH1A1MEN1KMT2AGLRA3GLRB
SCHEMBL4113709 0.80 GLRA3 (0.44) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL4134426 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL4122437 0.77 GLRA3 (0.53) ALDH1A1SMN1; SMN2L3MBTL1KMT2AGLRA3
SCHEMBL4122737 0.77 SMN1; SMN2 (0.43) TP53ALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL4127131 0.77 KMT2A (0.49) TP53ALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL4122832 0.77 LTC4S (0.43) ALDH1A1MEN1KMT2AGLRA3GLRB
SCHEMBL4116615 0.76 GLRA3 (0.51) ALDH1A1SMN1; SMN2GLRA3GLRBMAPT
SCHEMBL4126309 0.75 GLRA3 (0.48) TP53ALDH1A1SMN1; SMN2HTTGLRA3
SCHEMBL4127543 0.75 GLRA3 (0.50) ALDH1A1SMN1; SMN2HTTMEN1KMT2A

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 TP53 3809/4885ALDH1A1 1413/4885SMN1; SMN2 2423/4885

“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.