SCHEMBL7122268

SCHEMBL7122268

COC(=O)c1ccc(C(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
MAPT P10636 4/20 0.55
ALDH1A1 P00352 4/20 0.55
PYGL P06737 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
RXFP1 Q9HBX9 1/20 0.52
PYGM P11217 1/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL4094329 0.89 KMT2A (0.66) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7116140 0.86 PYGL (0.66) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7122274 0.86 PYGL (0.56) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7117003 0.85 MEN1 (0.65) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7118343 0.83 ABCG2 (0.54) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL5834186 0.82 KMT2A (0.63) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL6431792 0.82 PYGL (0.78) KMT2AMEN1MAPTPYGLPYGM
SCHEMBL6430903 0.81 MEN1 (0.53) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7122264 0.81 MEN1 (0.53) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7116495 0.80 KMT2A (0.53) KMT2AMEN1RAB9ANPC1MAPT

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 KMT2A 971/4885MEN1 2301/4885RAB9A 4665/4885

“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.