SCHEMBL7126675

SCHEMBL7126675

O=C(O)c1ccc(Oc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYGL P06737 15/20 0.71
PYGM P11217 3/20 0.71
MAPT P10636 2/20 0.71
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53

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
SCHEMBL7116506 0.89 PYGL (0.62) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL30249770 0.86 PYGL (0.73) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL7126045 0.86 PYGL (0.73) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL27716705 0.86 MAPT (0.87) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL7116503 0.86 MAPT (0.66) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL7126028 0.84 MAPT (0.83) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL4323472 0.83 PYGL (1.00) PYGLPYGMMAPT
SCHEMBL4092971 0.81 KMT2A (0.71) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL10477475 0.79 MAPT (0.67) PYGLPYGMMAPTALDH1A1MEN1
SCHEMBL30249725 0.79 PYGL (0.73) PYGLPYGMMAPTMEN1KMT2A

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 PYGL 1/4885PYGM 3/4885MAPT 2042/4885

“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.