SCHEMBL4362866

SCHEMBL4362866

O=[N+]([O-])c1ccccc1C1CCc2cc(O)ccc2O1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.54
ESR1 P03372 4/20 0.54
AR P10275 4/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP19A1 P11511 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PSMB5 P28074 1/20 0.37
DNMT3B Q9UBC3 2/20 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
SCHEMBL4365498 0.80 AR (0.70) ESR2ARCYP3A4KDM4EALDH1A1
SCHEMBL4371924 0.79 ESR2 (0.62) ESR2ESR1ARCYP3A4CYP19A1
SCHEMBL4372752 0.78 ESR2 (0.61) ESR2ESR1ARCYP3A4KDM4E
SCHEMBL14759687 0.78 ESR1 (0.61) ESR2ESR1ARCYP3A4ALDH1A1
SCHEMBL14759303 0.78 ESR1 (0.61) ESR2ESR1ARCYP3A4ALDH1A1
SCHEMBL4366070 0.78 AR (0.40) ESR2ESR1ARCYP3A4KDM4E
SCHEMBL14759394 0.78 ESR2 (0.57) ESR2ESR1ARCYP3A4CYP19A1
SCHEMBL4366192 0.78 ESR2 (0.72) ESR2ESR1ARCYP3A4ALDH1A1
SCHEMBL4363980 0.77 ESR1 (0.60) ESR2ESR1ARKDM4EALDH1A1
SCHEMBL27566431 0.77 KDM4E (0.41) ARCYP3A4KDM4EALDH1A1LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100457752-C Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORP (FI) 2009-02-04 CN disclosed
US-7482340-B2 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2009-01-27 US disclosed
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
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2006-10-26 US disclosed
CN-1281597-C New compounds, which are potent inhibitors of Na<+>/Ca<2+> exchange mechanism and are useful in the treatment of arrhythmias ORION CORP (FI) 2006-10-25 CN 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
CN-1745078-A Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORP (FI) 2006-03-08 CN 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
CN-1525966-A New compounds, which are potent inhibitors of Na<+>/Ca<2+> exchange mechanism and are useful in the treatment of arrhythmias 2004-09-01 CN 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 (2 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 ESR2 1296/4885ESR1 3216/4885AR 965/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU ESR2 2281/4885ESR1 1827/4885AR 3262/4885

“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.