SCHEMBL7126066

SCHEMBL7126066

N#Cc1ccc(Oc2ccccc2N)cc1-c1nnn[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.43
GAA P10253 3/20 0.42
RCE1 Q9Y256 1/20 0.42
AR P10275 12/20 0.38
ALDH1A1 P00352 1/20 0.37
LRRK2 Q5S007 1/20 0.37
CYP19A1 P11511 1/20 0.36
IKBKB O14920 1/20 0.35
BRAF P15056 1/20 0.35
POLB P06746 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL7118171 0.92 GAA (0.43) TLR4GAARCE1ARALDH1A1
SCHEMBL7116112 0.79 PLA2G7 (0.40) ARALDH1A1
SCHEMBL9135156 0.75 GAA (0.49) TLR4GAARCE1ALDH1A1IKBKB
SCHEMBL7115607 0.75 GAA (0.57) TLR4GAARCE1ARALDH1A1
SCHEMBL7212332 0.73 PTGES (0.44)
SCHEMBL7198057 0.73 TP53 (0.37) GAAARALDH1A1LRRK2POLB
SCHEMBL7129337 0.71 TP53 (0.41) ALDH1A1
SCHEMBL3277728 0.67 ALDH1A1 (0.52) GAAALDH1A1
SCHEMBL30940314 0.67 ALDH1A1 (0.52) GAAALDH1A1
Hydrochloric Acid SCHEMBL27778340 0.66 ALDH1A1 (0.50) GAAALDH1A1

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 TLR4 2359/4885GAA 99/4885RCE1 2133/4885

“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.