SCHEMBL7123049

SCHEMBL7123049

CC(=O)Nc1ccccc1Oc1ccc(C#N)c(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 9/20 0.51
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
AR P10275 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CASP1 P29466 1/20 0.46

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
SCHEMBL7129337 0.80 TP53 (0.41) PLA2G7ALDH1A1HTTTP53HPGD
SCHEMBL7116112 0.80 PLA2G7 (0.40) PLA2G7ALDH1A1HTTTP53HPGD
SCHEMBL13327531 0.78 ALDH1A1 (0.61) PLA2G7ALDH1A1TP53HPGDNPSR1
SCHEMBL31749055 0.78 ALDH1A1 (0.61) PLA2G7ALDH1A1TP53HPGDNPSR1
SCHEMBL1940627 0.78 AR (0.57) ALDH1A1HPGDNPSR1AR
SCHEMBL2342698 0.77 ADRA2C (0.64) ALDH1A1HSD17B10MAPTTSHRMAPK1
SCHEMBL30327328 0.77 ADRA2C (0.64) ALDH1A1HSD17B10MAPTTSHRMAPK1
SCHEMBL30892502 0.76 BRD4 (0.62) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL10822262 0.76 BRD4 (0.62) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL7126561 0.76 MAPT (0.72) ALDH1A1HTTNPSR1KDM4EMAPT

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 PLA2G7 1235/4885ALDH1A1 901/4885HTT 3841/4885

“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.