SCHEMBL7126028

SCHEMBL7126028

O=C(O)c1cc(Oc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc(C(=O)O)c1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.83
PYGL P06737 13/20 0.76
PYGM P11217 2/20 0.76
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SIRT2 Q8IXJ6 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL27716705 0.91 MAPT (0.87) MAPTPYGLPYGMALDH1A1MEN1
SCHEMBL7122319 0.91 MAPT (0.68) MAPTPYGLPYGMALDH1A1MEN1
SCHEMBL7122317 0.89 MAPT (0.76) MAPTPYGLPYGMALDH1A1MEN1
SCHEMBL4323472 0.86 PYGL (1.00) MAPTPYGLPYGM
SCHEMBL7126675 0.84 PYGL (0.71) MAPTPYGLPYGMALDH1A1MEN1
SCHEMBL7124027 0.83 MAPT (0.81) MAPTPYGLPYGMALDH1A1MEN1
SCHEMBL7129453 0.83 MAPT (0.80) MAPTPYGLPYGMALDH1A1MEN1
SCHEMBL30249770 0.83 PYGL (0.73) MAPTPYGLPYGMALDH1A1MEN1
SCHEMBL7126045 0.83 PYGL (0.73) MAPTPYGLPYGMALDH1A1MEN1
SCHEMBL7126561 0.82 MAPT (0.72) MAPTPYGLPYGMALDH1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics KRISTIANSEN MARIT (DK) 2003-10-02 US disclosed
US-6590118-B1 Used in treatment of and/or prevention of diabetes, especially non-insulin dependent diabetes (Type 2 diabetes) NOVO NORDISK A/S (DK) 2003-07-08 US 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-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics PYGL, GYS2, PYGM MAPT 2042/4885PYGL 1/4885PYGM 3/4885

“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.