SCHEMBL4122737

SCHEMBL4122737

Cc1c(Sc2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GALR3 O60755 1/20 0.43
HTT P42858 1/20 0.43
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
HSP90AA1 P07900 1/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 6/20 0.38
LMNA P02545 4/20 0.38
HPGD P15428 2/20 0.38
PDE7A Q13946 2/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL4122654 0.88 MEN1 (0.46) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL4129099 0.84 GLRA3 (0.53) SMN1; SMN2L3MBTL1MEN1KMT2AGLRA3
SCHEMBL4121020 0.83 TXNRD1 (0.52) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL4121656 0.82 KMT2A (0.42) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL4127853 0.81 GLRA3 (0.40) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL4123964 0.80 SLC6A2 (0.44) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL4128339 0.78 GLRA3 (0.51) SMN1; SMN2L3MBTL1MEN1KMT2AGLRA3
SCHEMBL4113993 0.77 TP53 (0.49) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL5062113 0.77 GLRA3 (0.50) SMN1; SMN2L3MBTL1KMT2AGLRA3GLRB
SCHEMBL4127131 0.76 KMT2A (0.49) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3

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 SMN1; SMN2 2423/4885L3MBTL1 3557/4885MEN1 2512/4885

“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.