SCHEMBL4134426

SCHEMBL4134426

COC(=O)c1c(C)c(C(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 2/20 0.43
SETD7 Q8WTS6 2/20 0.43
NPC1 O15118 1/20 0.43
NTSR1 P30989 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 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
SCHEMBL4117083 0.81 PTGS1 (0.39) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL4125922 0.80 PTPN1 (0.43) RAB9ANPC1TDP1
SCHEMBL4128093 0.79 TDP1 (0.43) ALDH1A1MAPTHTTGAAKMT2A
SCHEMBL4113993 0.79 TP53 (0.49) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL4113737 0.78 TAS1R3 (0.39) ALDH1A1MAPTHTTGAASMN1; SMN2
SCHEMBL4134212 0.75 ALDH1A1 (0.41) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL4123787 0.75 MAPT (0.41) ALDH1A1MAPTHTTGAAKMT2A
SCHEMBL4115886 0.73 SMN1; SMN2 (0.38) ALDH1A1GAASMN1; SMN2LMNA
SCHEMBL7289004 0.72 ALDH1A1 (0.60) ALDH1A1MAPTHTTGAAKMT2A
SCHEMBL27574689 0.72 SMN1; SMN2 (0.62) ALDH1A1MAPTHTTGAAKMT2A

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 3 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 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 ALDH1A1 1413/4885MAPT 3830/4885HTT 1567/4885

“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.