SCHEMBL7128987

SCHEMBL7128987

O=C(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
KDM4E B2RXH2 1/20 0.64
SRD5A2 P31213 1/20 0.60
POLB P06746 1/20 0.56
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MYOC Q99972 1/20 0.54
HSPB1 P04792 1/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
PYGL P06737 5/20 0.52
PYGM P11217 4/20 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
SCHEMBL10923404 0.89 MEN1 (0.56) MEN1KMT2AKDM4ESRD5A2POLB
SCHEMBL3296847 0.88 KMT2A (0.61) MEN1KMT2AKDM4ESRD5A2NPC1
SCHEMBL10976077 0.88 MEN1 (0.61) MEN1KMT2AKDM4ESRD5A2POLB
SCHEMBL618104 0.88 KMT2A (0.61) MEN1KMT2AKDM4ESRD5A2NPC1
SCHEMBL23385258 0.88 KMT2A (0.61) MEN1KMT2AKDM4ESRD5A2NPC1
SCHEMBL31557914 0.86 MEN1 (0.60) MEN1KMT2AKDM4ESRD5A2NPC1
SCHEMBL28776093 0.86 MEN1 (0.60) MEN1KMT2AKDM4ESRD5A2NPC1
SCHEMBL31557883 0.86 MEN1 (0.60) MEN1KMT2AKDM4ESRD5A2POLB
SCHEMBL7118490 0.85 SMN1; SMN2 (0.53) MEN1KMT2AKDM4ESRD5A2MAPT
SCHEMBL145176 0.84 POLB (0.73) MEN1KMT2AKDM4EPOLBMAPK1

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 6 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
EP-0091851-B1 PROCESS FOR PREPARING ARYL ETHERS CARRYING DIFFERENT SUBSTITUENTS ON THE TWO AROMATIC NUCLEI Institut Français du Pétrole (FR) 1986-02-19 EP disclosed
US-4208505-A PRODUCTION OF LAMINATES OR COMPOSITE MATERIALS CENTRE NATIONAL D'ETUDES SPATIALES (FR) 1980-06-17 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 MEN1 2301/4885KMT2A 971/4885KDM4E 484/4885

“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.