SCHEMBL4134729

SCHEMBL4134729

CC(C)(C)c1cc(Sc2ccc([N+](=O)[O-])cc2)cc(C(=O)O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 5/20 0.52
HTT P42858 4/20 0.52
HPGD P15428 3/20 0.52
MAPK1 P28482 1/20 0.52
GALR3 O60755 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 3/20 0.43
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
DTYMK P23919 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
TP53 P04637 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
SCHEMBL4121424 0.83 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL4122013 0.78 KMT2A (0.49) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL4122654 0.77 MEN1 (0.46) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL6363161 0.73 ALDH1A1 (0.60) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL394897 0.72 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL18584853 0.70 KMT2A (0.51) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL6054546 0.70 MAPT (0.54) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL5026702 0.70 MAPT (0.59) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL4859122 0.69 MEN1 (0.69) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL3328543 0.69 MAPT (0.79) MEN1KMT2ASMN1; SMN2MAPTHTT

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 MEN1 2512/4885KMT2A 2465/4885SMN1; 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.