SCHEMBL7126615

SCHEMBL7126615

O=C(Cl)Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR35 Q9HC97 1/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
DBH P09172 1/20 0.47

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
SCHEMBL2710180 0.85 MAPT (0.59) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL231627 0.85 MAPT (0.59) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL13520189 0.83 POLB (0.52) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL7564083 0.83 POLB (0.52) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL2742575 0.83 MAPT (0.58) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL7252708 0.82 LMNA (0.52) POLBMAPK1ALDH1A1TP53HPGD
Nitric Acid SCHEMBL7984255 0.82 MAPT (0.56) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL9450021 0.81 TSHR (0.55) MAPK1ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL532173 0.81 POLB (0.56) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL13519622 0.81 POLB (0.50) POLBMAPK1ALDH1A1TP53HPGD

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
WO-2012170371-A1 COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-12-13 WO disclosed
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 POLB 2900/4885MAPK1 1332/4885ALDH1A1 901/4885

“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.