SCHEMBL7119617

SCHEMBL7119617

COC(=O)c1ccc(Oc2ccccc2[N+](=O)[O-])c(C(=O)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
VCAM1 P19320 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
ESRRA P11474 1/20 0.48
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL4580873 0.90 ALDH1A1 (0.60) ALDH1A1HPGDNPSR1VCAM1TDP1
SCHEMBL1365383 0.87 L3MBTL1 (0.54) ALDH1A1HPGDL3MBTL1TDP1LMNA
SCHEMBL8076951 0.86 L3MBTL1 (0.62) ALDH1A1HPGDL3MBTL1TDP1POLB
SCHEMBL26306447 0.86 TDP1 (0.58) ALDH1A1HPGDNPSR1L3MBTL1TDP1
SCHEMBL31098230 0.86 TDP1 (0.58) ALDH1A1HPGDNPSR1L3MBTL1TDP1
SCHEMBL1367387 0.86 L3MBTL1 (0.52) ALDH1A1HPGDL3MBTL1TDP1POLB
SCHEMBL1340946 0.86 L3MBTL1 (0.56) ALDH1A1HPGDNPSR1L3MBTL1TDP1
SCHEMBL31098224 0.83 MAPT (0.62) ALDH1A1HPGDNPSR1L3MBTL1TDP1
SCHEMBL26758686 0.82 ALDH1A1 (0.53) ALDH1A1HPGDNPSR1L3MBTL1TDP1
SCHEMBL4579614 0.82 TTR (0.57) ALDH1A1HPGDNPSR1TDP1LMNA

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 4 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
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 ALDH1A1 901/4885HPGD 919/4885NPSR1 1987/4885

“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.