SCHEMBL4369030

SCHEMBL4369030

O=[N+]([O-])c1ccc(Oc2ccc3c(c2)CCC(c2ccccc2C(F)(F)F)O3)nc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSPB1 P04792 1/20 0.43
SLC8A1 P32418 17/20 0.42
RAB9A P51151 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
SCHEMBL4365891 0.89 HSPB1 (0.47) MAPTNPSR1HSPB1SLC8A1
SCHEMBL4369918 0.88 HSPB1 (0.43) MAPTNPSR1HSPB1SLC8A1
SCHEMBL4366186 0.87 HSPB1 (0.43) MAPTNPSR1HSPB1SLC8A1
SCHEMBL4364082 0.85 HSPB1 (0.46) MAPTNPSR1HSPB1SLC8A1
SCHEMBL4368867 0.85 SLC8A1 (0.45) SLC8A1
SCHEMBL4367679 0.85 SLC8A1 (0.45) SLC8A1
SCHEMBL4361661 0.85 SLC8A1 (0.54) SLC8A1
SCHEMBL30540995 0.85 SLC8A1 (0.54) SLC8A1
SCHEMBL4365826 0.84 MAPT (0.56) MAPTNPSR1HSPB1SLC8A1RAB9A
SCHEMBL4954358 0.84 MAPT (0.46) MAPTNPSR1HSPB1RAB9A

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 MAPT 2223/4885NPSR1 945/4885HSPB1 3594/4885

“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.