SCHEMBL4358435

SCHEMBL4358435

CC1Cc2cc(Oc3ccc([N+](=O)[O-])cn3)ccc2OC1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 4/20 0.49
HSPB1 P04792 2/20 0.45
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
GABRA5 P31644 1/20 0.39
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.36
PPARG P37231 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL4375569 0.83 SLC8A1 (0.51) SLC8A1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4562042 0.83 SLC8A1 (0.51) SLC8A1GABRA1GABRB2
SCHEMBL30540995 0.82 SLC8A1 (0.54) SLC8A1
SCHEMBL4361661 0.82 SLC8A1 (0.54) SLC8A1
SCHEMBL4361750 0.81 HSPB1 (0.45) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL4363005 0.80 AR (0.55) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL4363001 0.79 HSPB1 (0.51) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL4365305 0.78 MAOB (0.55) HSPB1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL4361585 0.77 SLC8A1 (0.47) SLC8A1HSPB1
SCHEMBL4368184 0.77 HSPB1 (0.46) SLC8A1HSPB1MAPTNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1583759-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2005-10-12 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
WO-2004063191-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2004-07-29 WO 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 SLC8A1 40/4885HSPB1 2699/4885MAPT 4853/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU SLC8A1 5/4885HSPB1 3594/4885MAPT 2223/4885

“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.