SCHEMBL4358032

SCHEMBL4358032

O=[N+]([O-])c1ccc(Oc2ccc3c(c2)OCC(c2ccccc2)C3)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.46
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 2/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TTR P02766 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4363606 0.90 HSPB1 (0.50) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL4363001 0.86 HSPB1 (0.51) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL4369026 0.83 KDM4E (0.43) MEN1KMT2AALDH1A1RAB9AESR1
SCHEMBL4360427 0.83 ESR1 (0.41) ESR1ESR2TTR
SCHEMBL4362202 0.83 HSPB1 (0.47) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL4368184 0.82 HSPB1 (0.46) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL4360462 0.79 SLC8A1 (0.47) HSPB1
SCHEMBL4365305 0.77 MAOB (0.55) HSPB1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL4363967 0.77 MAPT (0.43) MAPTGAAMEN1KMT2ALMNA
SCHEMBL4358435 0.77 SLC8A1 (0.49) HSPB1MAPTNPSR1L3MBTL1GAA

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 HSPB1 2699/4885MAPT 4853/4885NPSR1 663/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU HSPB1 3594/4885MAPT 2223/4885NPSR1 945/4885

“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.