SCHEMBL4122724

SCHEMBL4122724

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.47
PDE7B Q9NP56 4/20 0.47
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.42
BCL2L1 Q07817 1/20 0.42
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
GAA P10253 1/20 0.40
PLA2G4A P47712 1/20 0.40
USP7 Q93009 1/20 0.40
USP47 Q96K76 1/20 0.40
HPGD P15428 1/20 0.38
ITGB2 P05107 1/20 0.38

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
SCHEMBL4121020 0.88 TXNRD1 (0.52) MAPTLMNANPSR1TDP1MEN1
SCHEMBL4123964 0.86 SLC6A2 (0.44) PDE7AMAPTLMNANPSR1TDP1
SCHEMBL4129271 0.84 GLRA3 (0.47) MAPTLMNATDP1MEN1KMT2A
SCHEMBL4127853 0.82 GLRA3 (0.40) PDE7APDE7BMAPTLMNATDP1
SCHEMBL4113656 0.82 GLRA3 (0.47) MAPTLMNANPSR1TDP1MEN1
SCHEMBL4121656 0.81 KMT2A (0.42) PDE7AMAPTLMNAMEN1KMT2A
SCHEMBL4121706 0.79 GLRA3 (0.49) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL4127656 0.79 KIF18A (0.49) MAPTLMNATDP1MEN1KMT2A
SCHEMBL4122654 0.78 MEN1 (0.46) PDE7AMAPTLMNATDP1MEN1
SCHEMBL11764473 0.76 GLRA3 (0.57) TDP1MEN1KMT2APOLBGLRA3

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 PDE7A 1934/4885PDE7B 2815/4885MAPT 3830/4885

“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.