SCHEMBL4371035

SCHEMBL4371035

Nc1ccc(Oc2ccc3c(c2)C(=O)CC(c2ccccc2)O3)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.60
ABCB1 P08183 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.60
STS P08842 1/20 0.58
MAOB P27338 10/20 0.48
CYP19A1 P11511 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
MAOA P21397 1/20 0.43
PSMB5 P28074 1/20 0.43

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
SCHEMBL4362861 0.92 MAOB (0.60) ARABCB1ABCG2STSMAOB
SCHEMBL4366645 0.87 AR (0.60) ARABCB1ABCG2STSMAOB
SCHEMBL4363005 0.84 AR (0.55) ARABCB1ABCG2STSMAOB
SCHEMBL4360163 0.82 SLC8A1 (0.61)
Hydrochloric Acid SCHEMBL4370697 0.81 SLC8A1 (0.60)
SCHEMBL4366448 0.81 CSF1R (0.43) KDM4EHSD17B10RAB9AALDH1A1MAPK1
SCHEMBL1823145 0.80 AR (0.76) ARABCB1ABCG2STSMAOB
SCHEMBL4360138 0.80 ESR1 (0.45) ARABCB1ABCG2STSCYP19A1
SCHEMBL4366138 0.79 AR (0.50) ARABCB1ABCG2STSMAOB
SCHEMBL4365832 0.79 MAOB (0.60) ARABCB1ABCG2MAOBCYP19A1

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 AR 965/4885ABCB1 1154/4885ABCG2 961/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU AR 3262/4885ABCB1 436/4885ABCG2 239/4885

“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.