SCHEMBL7128950

SCHEMBL7128950

Cc1ccc(C(=O)Nc2ccccc2Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1[N+](=O)[O-]

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.79
CYP2C9 P11712 1/20 0.79
CYP2C19 P33261 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
PYGL P06737 15/20 0.71
PYGM P11217 6/20 0.71
LMNA P02545 1/20 0.64
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL7128902 0.88 PYGL (0.71) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL7128543 0.87 PYGM (0.72) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL4323472 0.83 PYGL (1.00) PYGLPYGM
SCHEMBL7126611 0.82 PYGM (0.72) PYGLPYGMLMNA
SCHEMBL6431208 0.81 PYGL (0.80) PYGLPYGM
SCHEMBL6432020 0.80 PYGM (0.80) PYGLPYGMALDH1A1
SCHEMBL7116980 0.80 PYGM (0.72) PYGLPYGMLMNA
SCHEMBL7129478 0.80 PYGL (0.72) PYGLPYGM
SCHEMBL7126661 0.80 PYGM (0.81) NPSR1PYGLPYGMLMNA
SCHEMBL6431898 0.79 PYGM (0.70) SMN1; SMN2PYGLPYGMLMNA

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 CYP1A2 862/4885CYP2C9 2013/4885CYP2C19 2090/4885

“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.