SCHEMBL4957003

SCHEMBL4957003

O=[N+]([O-])c1ccc(Oc2ccc3c(c2)C(O)CC(c2ccc(Cl)cc2)O3)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
HSPB1 P04792 2/20 0.43
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 5/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PABPC1 P11940 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4365552 0.94 HSPB1 (0.48) PPARGHSPB1MAPTNPSR1LMNA
SCHEMBL4954080 0.91 HSPB1 (0.43) PPARGHSPB1MAPTNPSR1LMNA
SCHEMBL4952054 0.91 HSPB1 (0.44) PPARGHSPB1MAPTNPSR1LMNA
SCHEMBL4375482 0.88 HSPB1 (0.43) PPARGHSPB1MAPTNPSR1LMNA
SCHEMBL4955971 0.86 HSPB1 (0.42) PPARGHSPB1MAPTNPSR1LMNA
SCHEMBL4952892 0.85 HSPB1 (0.41) PPARGHSPB1MAPTNPSR1LMNA
SCHEMBL4954078 0.85 HSPB1 (0.47) HSPB1MAPTNPSR1LMNAALDH1A1
SCHEMBL4951920 0.84 MAPT (0.40) HSPB1MAPTNPSR1LMNAALDH1A1
SCHEMBL4952746 0.84 HSPB1 (0.51) PPARGHSPB1MAPTNPSR1LMNA
SCHEMBL4954341 0.83 HSPB1 (0.47) PPARGHSPB1MAPTNPSR1LMNA

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-7425568-B2 Compounds, which are potent inhibitors of Na+ /Ca2+ exchange mechanism and are useful in the treatment of arrhythmias ORION CORPORATION (FI) 2008-09-16 US disclosed
EP-1412343-B1 COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORP (FI) 2006-08-30 EP disclosed
US-20040235905-A1 Compounds, which are potent inhibitors of na+ / ca2+ exchange mechanism and are useful in the treatment of arrhythmias ORION CORPORATION (FI) 2004-11-25 US disclosed
EP-1412343-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2004-04-28 EP disclosed
WO-2003006452-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2003-01-23 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-20040235905-A1 Compounds, which are potent inhibitors of na+ / ca2+ exchange mechanism and are useful in the treatment of arrhythmias CACNA1E, KCNN4, RYR2 PPARG 4207/4885HSPB1 2699/4885MAPT 4853/4885

“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.