SCHEMBL4954358

SCHEMBL4954358

O=[N+]([O-])c1ccc(Oc2ccc3c(c2)C(O)CC(c2ccccc2C(F)(F)F)O3)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSPB1 P04792 2/20 0.42
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 5/20 0.37
LMNA P02545 5/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.35
RORC P51449 1/20 0.35
HTT P42858 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL4955776 0.89 HSPB1 (0.47) MAPTNPSR1HSPB1RAB9AALDH1A1
SCHEMBL4955971 0.87 HSPB1 (0.42) MAPTNPSR1HSPB1RAB9AALDH1A1
SCHEMBL4952054 0.86 HSPB1 (0.44) MAPTNPSR1HSPB1RAB9AALDH1A1
SCHEMBL4949259 0.85 MAPT (0.45) MAPTNPSR1HSPB1RAB9AALDH1A1
SCHEMBL4375482 0.85 HSPB1 (0.43) MAPTNPSR1HSPB1RAB9AALDH1A1
SCHEMBL4365552 0.84 HSPB1 (0.48) MAPTNPSR1HSPB1RAB9AALDH1A1
SCHEMBL4369030 0.84 MAPT (0.47) MAPTNPSR1HSPB1RAB9A
SCHEMBL4954341 0.83 HSPB1 (0.47) MAPTNPSR1HSPB1RAB9AALDH1A1
SCHEMBL4951794 0.83 HSPB1 (0.51) MAPTNPSR1HSPB1RAB9AALDH1A1
SCHEMBL4952746 0.83 HSPB1 (0.51) MAPTNPSR1HSPB1RAB9AALDH1A1

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

“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.