SCHEMBL7128902

SCHEMBL7128902

O=C(Nc1ccccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGL P06737 15/20 0.71
PYGM P11217 8/20 0.71
SMN1; SMN2 Q16637 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 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
SCHEMBL7128950 0.88 CYP1A2 (0.79) PYGLPYGMSMN1; SMN2CYP1A2CYP2C9
SCHEMBL7119403 0.87 PYGM (0.76) PYGLPYGMALDH1A1TDP1
SCHEMBL4323472 0.83 PYGL (1.00) PYGLPYGMMAPT
SCHEMBL7125502 0.82 PYGM (0.79) PYGLPYGMSMN1; SMN2NPSR1LMNA
SCHEMBL13401489 0.82 ALDH1A1 (0.72) SMN1; SMN2NPSR1ALDH1A1MAPTLMNA
SCHEMBL6431208 0.81 PYGL (0.80) PYGLPYGMTDP1
SCHEMBL6432816 0.80 PYGL (1.00) PYGLPYGM
SCHEMBL7128550 0.80 PYGM (0.83) PYGLPYGM
SCHEMBL7129478 0.80 PYGL (0.72) PYGLPYGMTDP1
SCHEMBL6431898 0.79 PYGM (0.70) PYGLPYGMSMN1; SMN2LMNATDP1

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 3/4885SMN1; SMN2 3594/4885

“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.