SCHEMBL4122654

SCHEMBL4122654

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
HTT P42858 3/20 0.46
GALR3 O60755 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
MAPT P10636 5/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.43
PTGES O14684 1/20 0.42
TBXA2R P21731 1/20 0.41
NR1H4 Q96RI1 1/20 0.39
PDE7A Q13946 2/20 0.39
GAA P10253 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL4122737 0.88 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL4121020 0.85 TXNRD1 (0.52) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL4128339 0.85 GLRA3 (0.51) MEN1KMT2ASMN1; SMN2L3MBTL1GLRA3
SCHEMBL4121656 0.84 KMT2A (0.42) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL4129099 0.84 GLRA3 (0.53) MEN1KMT2ASMN1; SMN2L3MBTL1GLRA3
SCHEMBL4127853 0.84 GLRA3 (0.40) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL4121706 0.83 GLRA3 (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1GLRA3
SCHEMBL4123084 0.83 GLRA3 (0.49) MEN1KMT2ASMN1; SMN2HTTGLRA3
SCHEMBL4122107 0.81 PTGES (0.42) MEN1KMT2ASMN1; SMN2HTTMAPT
SCHEMBL4115630 0.81 GLRA3 (0.47) MEN1KMT2AGLRA3GLRBALDH1A1

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.