SCHEMBL4953121

SCHEMBL4953121

COc1ccc(Oc2ccc3c(c2)CC(c2ccccc2)C3)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PAX8 Q06710 1/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.40
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C1 Q04828 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL4952859 0.87 ALDH1A1 (0.43) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL4955574 0.86 ALOX15 (0.45) RAB9AAKR1C3AKR1C2MAPTALDH1A1
SCHEMBL4361668 0.80 ALDH1A1 (0.49) MAPTALDH1A1GAAPOLBLMNA
SCHEMBL4957600 0.80 MAPT (0.44) RAB9AMAPTALDH1A1GAAMEN1
SCHEMBL31090881 0.79 MAPT (0.57) RAB9AAKR1C3AKR1C2MAPTALDH1A1
SCHEMBL9269198 0.79 MAPT (0.57) RAB9AAKR1C3AKR1C2MAPTALDH1A1
SCHEMBL4953429 0.77 SLC8A1 (0.49)
SCHEMBL4953543 0.76 KIF11 (0.47) RAB9AMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL27515713 0.74 ALDH1A1 (0.44) RAB9AMAPTALDH1A1MAPK1NPC1
SCHEMBL1157904 0.72 ALDH1A1 (0.49) RAB9AMAPTALDH1A1MAPK1MEN1

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 RAB9A 882/4885AKR1C3 585/4885AKR1C2 732/4885

“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.