SCHEMBL4366639

SCHEMBL4366639

O=c1c(-c2cccc(F)c2)coc2cc(O)ccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.73
ALDH1A1 P00352 8/20 0.73
HSD17B10 Q99714 7/20 0.73
NPC1 O15118 6/20 0.73
RAB9A P51151 6/20 0.73
HPGD P15428 6/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
PPARG P37231 4/20 0.73
PPARD Q03181 4/20 0.73
PPARA Q07869 4/20 0.73
GAA P10253 1/20 0.73
POLB P06746 2/20 0.72
NPSR1 Q6W5P4 1/20 0.72
EGFR P00533 1/20 0.72
MAPT P10636 6/20 0.68
TP53 P04637 3/20 0.68
CYP3A4 P08684 3/20 0.68
MAOA P21397 3/20 0.68
MAOB P27338 3/20 0.68
CYP2D6 P10635 2/20 0.68

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
SCHEMBL30527919 0.89 KDM4E (0.81) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL2069094 0.89 KDM4E (0.81) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL10559664 0.85 ALOX12 (0.63) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL4683689 0.85 KDM4E (1.00) KDM4EALDH1A1HSD17B10NPC1RAB9A
7-Hydroxy Isoflavone SCHEMBL762528 0.84 KDM4E (1.00) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL30015006 0.84 KDM4E (0.72) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL29651545 0.83 MIF (0.61) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL8602 0.83 MIF (0.61) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL13904559 0.82 KDM4E (0.71) KDM4EALDH1A1HSD17B10NPC1RAB9A
7-Hydroxy Isoflavone SCHEMBL5803559 0.82 KDM4E (0.94) KDM4EALDH1A1HSD17B10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009026657-A1 FLAVONOID PPAR AGONISTS THE UNIVERSITY OF SYDNEY (AU) 2009-03-05 WO 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
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 KDM4E 1318/4885ALDH1A1 4382/4885HSD17B10 349/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU KDM4E 1769/4885ALDH1A1 2695/4885HSD17B10 1933/4885

“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.