SCHEMBL4366282

SCHEMBL4366282

COc1ccc2c(=O)c(-c3cccc(F)c3)coc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.74
NPC1 O15118 8/20 0.74
RAB9A P51151 8/20 0.74
SMN1; SMN2 Q16637 8/20 0.74
ALDH1A1 P00352 8/20 0.74
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
KDM4E B2RXH2 4/20 0.74
CYP3A4 P08684 3/20 0.74
HPGD P15428 3/20 0.74
TP53 P04637 3/20 0.74
PPARG P37231 2/20 0.67
PPARD Q03181 2/20 0.67
PPARA Q07869 2/20 0.67
XDH P47989 1/20 0.64
LMNA P02545 2/20 0.61
PIN1 Q13526 1/20 0.58
HSD17B10 Q99714 3/20 0.57
HDAC6 Q9UBN7 2/20 0.57
MAOA P21397 2/20 0.57

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
SCHEMBL5504492 0.90 MAPT (0.82) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30527861 0.90 MAPT (0.82) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22340136 0.86 XDH (0.76) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL762092 0.85 MAPT (1.00) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL571576 0.83 XDH (0.84) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7499952 0.81 MAPT (0.77) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2069068 0.81 MAPT (0.77) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4366639 0.81 KDM4E (0.73) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2070726 0.80 PPARG (1.00) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8602 0.80 MIF (0.61) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4853/4885NPC1 670/4885RAB9A 882/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU MAPT 2223/4885NPC1 722/4885RAB9A 972/4885

“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.