SCHEMBL4121020

SCHEMBL4121020

Cc1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.52
TXNRD3 Q86VQ6 1/20 0.52
TXNRD2 Q9NNW7 1/20 0.52
MAPT P10636 10/20 0.48
HTT P42858 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.43
GALR3 O60755 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PSMD14 O00487 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
CA1 P00915 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
SCHEMBL4122724 0.88 PDE7A (0.47) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL4123964 0.87 SLC6A2 (0.44) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL5059646 0.86 TXNRD1 (0.49) TXNRD1TXNRD3TXNRD2MAPTHTT
SCHEMBL4121656 0.86 KMT2A (0.42) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL4122654 0.85 MEN1 (0.46) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL4122737 0.83 SMN1; SMN2 (0.43) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL4127853 0.79 GLRA3 (0.40) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL4113997 0.78 MEN1 (0.53) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4128042 0.78 MEN1 (0.43) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL11764473 0.77 GLRA3 (0.57) HTTMEN1KMT2AALDH1A1SMN1; SMN2

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 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 TXNRD1 1412/4885TXNRD3 1430/4885TXNRD2 1587/4885

“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.