SCHEMBL4363980

SCHEMBL4363980

O=[N+]([O-])c1cccc(C2CCc3cc(O)ccc3O2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.60
ESR2 Q92731 3/20 0.60
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CYP19A1 P11511 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
AR P10275 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
SLC9A1 P19634 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PSMB5 P28074 1/20 0.39
POLB P06746 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
SCHEMBL4366192 0.86 ESR2 (0.72) ESR1ESR2ALDH1A1CYP19A1LMNA
SCHEMBL4360459 0.83 ESR2 (0.75) ESR1ESR2CYP19A1ARMAOA
SCHEMBL4374182 0.81 AR (0.67) ESR2ALDH1A1ALOX15TSHRCYP19A1
SCHEMBL4363503 0.80 ESR2 (0.69) ESR1ESR2TSHRCYP19A1AR
SCHEMBL4361595 0.79 ESR2 (0.82) ESR1ESR2CYP19A1MEN1KMT2A
SCHEMBL4364031 0.79 ESR1 (0.68) ESR1ESR2CYP19A1ARMAOA
SCHEMBL27571342 0.79 ESR2 (0.68) ESR1ESR2ALOX15CYP19A1AR
SCHEMBL4368187 0.79 ESR2 (0.68) ESR1ESR2CYP19A1ARMAOA
SCHEMBL4360461 0.79 ALDH1A1 (0.46) ESR1ESR2ALDH1A1ALOX15TSHR
SCHEMBL27515714 0.78 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRCYP19A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100457752-C Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORP (FI) 2009-02-04 CN disclosed
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
CN-1281597-C New compounds, which are potent inhibitors of Na<+>/Ca<2+> exchange mechanism and are useful in the treatment of arrhythmias ORION CORP (FI) 2006-10-25 CN 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
CN-1745078-A Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORP (FI) 2006-03-08 CN 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
CN-1525966-A New compounds, which are potent inhibitors of Na<+>/Ca<2+> exchange mechanism and are useful in the treatment of arrhythmias 2004-09-01 CN 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 ESR1 3216/4885ESR2 1296/4885ALDH1A1 4382/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU ESR1 1827/4885ESR2 2281/4885ALDH1A1 2695/4885

“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.