SCHEMBL4128218

SCHEMBL4128218

Cc1c([S+]([O-])c2cc([N+](=O)[O-])ccc2Cl)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GALR3 O60755 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
NR1H4 Q96RI1 3/20 0.40
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 3/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPY1R P25929 1/20 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
SCHEMBL4128042 0.86 MEN1 (0.43) KMT2AMEN1SMN1; SMN2GALR3HTT
SCHEMBL4123794 0.84 MEN1 (0.46) KMT2AMEN1SMN1; SMN2GALR3HTT
SCHEMBL4122596 0.82 GLRA3 (0.49) KMT2AMEN1SMN1; SMN2GALR3HTT
SCHEMBL4121656 0.79 KMT2A (0.42) KMT2AMEN1SMN1; SMN2GALR3HTT
SCHEMBL4137570 0.79 SMN1; SMN2 (0.42) KMT2AMEN1SMN1; SMN2GALR3HTT
SCHEMBL5061844 0.76 MCL1 (0.49) KMT2AMEN1SMN1; SMN2GALR3HTT
SCHEMBL4114244 0.72 KMT2A (0.47) KMT2AMEN1SMN1; SMN2GALR3HTT
SCHEMBL4113993 0.72 TP53 (0.49) KMT2AMEN1SMN1; SMN2GALR3HTT
SCHEMBL4122654 0.71 MEN1 (0.46) KMT2AMEN1SMN1; SMN2GALR3HTT
SCHEMBL11764473 0.71 GLRA3 (0.57) KMT2AMEN1SMN1; SMN2GALR3HTT

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 KMT2A 2465/4885MEN1 2512/4885SMN1; 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.