SCHEMBL7125727

SCHEMBL7125727

COC(=O)c1ccc(Oc2ccccc2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C(=O)OC

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYGL P06737 12/20 0.66
PYGM P11217 5/20 0.66
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.55
ALOX5 P09917 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL6431792 0.92 PYGL (0.78) PYGLPYGMMEN1KMT2AMAPT
SCHEMBL7125734 0.86 PYGL (0.69) PYGLPYGMMEN1KMT2AMAPT
SCHEMBL6430901 0.84 PYGM (0.67) PYGLPYGMMEN1KMT2AMAPT
SCHEMBL6432103 0.82 PYGL (0.68) PYGLPYGMMEN1KMT2AMAPT
SCHEMBL6434998 0.82 PYGL (0.80) PYGLPYGMMEN1KMT2AMAPT
SCHEMBL6431545 0.82 PYGL (0.86) PYGLPYGMMEN1KMT2AMAPT
SCHEMBL6431250 0.81 CYP1A2 (0.65) PYGLPYGMMEN1KMT2AL3MBTL1
SCHEMBL6433991 0.81 PYGL (0.81) PYGLPYGMMEN1KMT2AMAPT
SCHEMBL6431218 0.81 PYGL (0.79) PYGLPYGMMEN1KMT2AMAPT
SCHEMBL6435823 0.81 PYGL (0.81) PYGLPYGMMEN1KMT2AMAPT

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 3/4885MEN1 2301/4885

“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.