SCHEMBL7126589

SCHEMBL7126589

O=C(Cl)C(Cl)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 4/20 0.56
LMNA P02545 2/20 0.52
ACP3 P15309 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
FBP1 P09467 1/20 0.46
DDX3X O00571 1/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 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
SCHEMBL5035510 0.87 ACP3 (0.55) ALDH1A1TSHRLMNAACP3CES2
Water SCHEMBL6057603 0.85 ACP3 (0.54) ALDH1A1TSHRLMNAACP3CES2
SCHEMBL6627469 0.85 ALDH1A1 (0.54) ALDH1A1TSHRLMNAACP3CES2
SCHEMBL27462574 0.84 ACP3 (0.52) ALDH1A1TSHRLMNAACP3CES2
SCHEMBL2407166 0.82 ALDH1A1 (0.54) ALDH1A1TSHRLMNAACP3CES2
SCHEMBL27780284 0.81 ALDH1A1 (0.52) ALDH1A1TSHRLMNAACP3CES2
SCHEMBL11802999 0.81 TSHR (0.57) ALDH1A1TSHRLMNAACP3CES2
SCHEMBL3642758 0.80 TSHR (0.61) ALDH1A1TSHRLMNAACP3CES2
SCHEMBL923837 0.79 ALDH1A1 (0.50) ALDH1A1TSHRLMNAACP3HTT
SCHEMBL10531013 0.79 LMNA (0.54) ALDH1A1TSHRLMNAHTTSMN1; SMN2

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 5 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
US-5076832-A Certain 3-(substituted phenyl)-5-(substituted phenyl)-1-ethylimidazolidine-4-ones as herbicides ICI AMERICAS INC. (US) 1991-12-31 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 ALDH1A1 901/4885TSHR 3696/4885LMNA 1952/4885

“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.