SCHEMBL6933328

SCHEMBL6933328

O=C(Nc1ccccc1N(Cc1ccccc1)c1ccc(C(=O)O)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGL P06737 12/20 0.57
PYGM P11217 2/20 0.57
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 2/20 0.52
GPR35 Q9HC97 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48

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
SCHEMBL6933340 0.91 PYGL (0.50) PYGLPYGMALDH1A1MEN1KMT2A
SCHEMBL6933335 0.89 MEN1 (0.50) PYGLPYGMALDH1A1MEN1KMT2A
SCHEMBL7198582 0.77 AR (0.46) ALDH1A1MEN1KMT2AMAPT
SCHEMBL7126670 0.77 PYGL (0.63) PYGLPYGMALDH1A1MEN1KMT2A
SCHEMBL4092971 0.76 KMT2A (0.71) PYGLPYGMALDH1A1MEN1KMT2A
SCHEMBL7198575 0.75 MEN1 (0.46) ALDH1A1MEN1KMT2AMAPT
SCHEMBL7116140 0.75 PYGL (0.66) PYGLPYGMALDH1A1MEN1KMT2A
SCHEMBL2271993 0.75 ALDH1A1 (0.61) PYGLPYGMALDH1A1MEN1KMT2A
SCHEMBL2273640 0.73 HDAC2 (0.67) PYGLPYGMALDH1A1MEN1KMT2A
SCHEMBL6431653 0.73 PYGL (0.63) PYGLPYGMALDH1A1MEN1KMT2A

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 9 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 claimed
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 claimed
JP-2003510304-A 2003-03-18 JP claimed
EP-1220832-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2002-07-10 EP claimed
WO-2001023347-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-04-05 WO claimed
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
EP-1220832-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2002-07-10 EP disclosed
WO-2001023347-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-04-05 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-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 3/4885ALDH1A1 901/4885

“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.