SCHEMBL4949259

SCHEMBL4949259

COc1ccccc1C1CC(O)c2cc(Oc3ccc([N+](=O)[O-])cn3)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.45
MAPK1 P28482 1/20 0.45
HSPB1 P04792 2/20 0.43
LMNA P02545 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
HTT P42858 3/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RGS12 O14924 2/20 0.40
BLM P54132 1/20 0.39
ALDH1A1 P00352 4/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 3/20 0.38
CYP19A1 P11511 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL4955971 0.88 HSPB1 (0.42) MAPTMAPK1HSPB1LMNASMN1; SMN2
SCHEMBL4955776 0.88 HSPB1 (0.47) MAPTMAPK1HSPB1LMNASMN1; SMN2
SCHEMBL4954080 0.87 HSPB1 (0.43) MAPTMAPK1HSPB1LMNASMN1; SMN2
SCHEMBL4952054 0.87 HSPB1 (0.44) MAPTMAPK1HSPB1LMNASMN1; SMN2
SCHEMBL4954358 0.85 MAPT (0.46) MAPTMAPK1HSPB1LMNASMN1; SMN2
SCHEMBL4951920 0.85 MAPT (0.40) MAPTMAPK1HSPB1LMNASMN1; SMN2
SCHEMBL4955575 0.85 KDM4E (0.45) MAPTKMT2AMEN1ALDH1A1CYP19A1
SCHEMBL4365552 0.85 HSPB1 (0.48) MAPTMAPK1HSPB1LMNASMN1; SMN2
SCHEMBL4375482 0.84 HSPB1 (0.43) MAPTMAPK1HSPB1LMNASMN1; SMN2
SCHEMBL4951794 0.83 HSPB1 (0.51) MAPTMAPK1HSPB1LMNASMN1; SMN2

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 4853/4885MAPK1 878/4885HSPB1 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.