SCHEMBL4363933

SCHEMBL4363933

O=[N+]([O-])c1ccc(Nc2ccc(Oc3ccc4c(c3)CCC(c3cccc(Oc5ccc([N+](=O)[O-])cn5)c3)O4)nc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
PABPC1 P11940 1/20 0.47
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC8A1 P32418 12/20 0.40
HSPB1 P04792 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL4361585 0.91 SLC8A1 (0.47) SLC8A1HSPB1
SCHEMBL4362310 0.88 SLC8A1 (0.41) SLC8A1
SCHEMBL4363388 0.88 HRH3 (0.47) MEN1KMT2ASLC8A1
SCHEMBL4366043 0.87 SLC8A1 (0.43) SLC8A1
SCHEMBL4375525 0.86 SLC8A1 (0.46) SLC8A1HSPB1
SCHEMBL4366505 0.86 SLC8A1 (0.45) SLC8A1HSPB1
SCHEMBL4370774 0.86 SLC8A1 (0.45) SLC8A1
SCHEMBL4363486 0.86 SLC8A1 (0.43) SLC8A1HSPB1
Hydrochloric Acid SCHEMBL4366237 0.85 SLC8A1 (0.44) SLC8A1HSPB1
SCHEMBL4361661 0.85 SLC8A1 (0.54) SLC8A1

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 4 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-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2006-10-26 US disclosed
EP-1583759-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2005-10-12 EP disclosed
WO-2004063191-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2004-07-29 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-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU MEN1 1596/4885KMT2A 4533/4885PABPC1 2689/4885

“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.