SCHEMBL4951920

SCHEMBL4951920

COc1cccc(C2CC(O)c3cc(Oc4ccc([N+](=O)[O-])cn4)ccc3O2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
HSPB1 P04792 1/20 0.40
RGS12 O14924 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HTT P42858 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 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
SCHEMBL4375482 0.96 HSPB1 (0.43) MAPTALDH1A1LMNAHSPB1RGS12
SCHEMBL4954080 0.91 HSPB1 (0.43) MAPTALDH1A1LMNAHSPB1HTT
SCHEMBL4952054 0.89 HSPB1 (0.44) MAPTALDH1A1LMNAHSPB1HTT
SCHEMBL4954078 0.89 HSPB1 (0.47) MAPTALDH1A1LMNAHSPB1HTT
SCHEMBL4952892 0.89 HSPB1 (0.41) MAPTALDH1A1LMNAHSPB1HTT
SCHEMBL4365552 0.88 HSPB1 (0.48) MAPTALDH1A1LMNAHSPB1HTT
SCHEMBL4949259 0.85 MAPT (0.45) MAPTALDH1A1LMNAHSPB1RGS12
SCHEMBL4951613 0.85 KDM4E (0.55) ALDH1A1HTTSMN1; SMN2KMT2AKDM4E
SCHEMBL4957003 0.84 PPARG (0.43) MAPTALDH1A1LMNAHSPB1HTT
SCHEMBL4954341 0.83 HSPB1 (0.47) MAPTALDH1A1LMNAHSPB1HTT

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 4853/4885ALDH1A1 4382/4885LMNA 1313/4885

“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.