SCHEMBL4954080

SCHEMBL4954080

COc1ccc(C2CC(O)c3cc(Oc4ccc([N+](=O)[O-])cn4)ccc3O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.43
MAPT P10636 8/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 4/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 1/20 0.36

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) HSPB1MAPTNPSR1LMNAGAA
SCHEMBL4951920 0.91 MAPT (0.40) HSPB1MAPTNPSR1LMNAGAA
SCHEMBL4957003 0.91 PPARG (0.43) HSPB1MAPTNPSR1LMNAGAA
SCHEMBL4952054 0.91 HSPB1 (0.44) HSPB1MAPTNPSR1LMNAGAA
SCHEMBL4375482 0.88 HSPB1 (0.43) HSPB1MAPTNPSR1LMNAGAA
SCHEMBL4949259 0.87 MAPT (0.45) HSPB1MAPTNPSR1LMNAGAA
SCHEMBL4954078 0.85 HSPB1 (0.47) HSPB1MAPTNPSR1LMNAGAA
SCHEMBL4952892 0.85 HSPB1 (0.41) HSPB1MAPTNPSR1LMNAGAA
SCHEMBL4952242 0.84 KDM4E (0.47) MAPTALDH1A1RAB9ATDP1KMT2A
SCHEMBL4955971 0.83 HSPB1 (0.42) HSPB1MAPTNPSR1LMNAGAA

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 HSPB1 2699/4885MAPT 4853/4885NPSR1 663/4885

“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.