SCHEMBL4363593

SCHEMBL4363593

CC(=O)NCC(=O)Nc1ccc(Oc2ccc3c(c2)OCC(c2ccccc2)C3)nc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
LTA4H P09960 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
GAA P10253 2/20 0.37
KMT2A Q03164 3/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL4363967 0.88 MAPT (0.43) HRH3LTA4HALDH1A1MAPTGAA
SCHEMBL4366660 0.88 HRH3 (0.47) HRH3LTA4HALDH1A1MAPTGFER
SCHEMBL4359120 0.85 HRH3 (0.51) HRH3LTA4HALDH1A1MAPTGFER
SCHEMBL4360400 0.84 CSF1R (0.40) HRH3LTA4HALDH1A1MAPTGFER
SCHEMBL4368999 0.82 SLC8A1 (0.48) HRH3
SCHEMBL4362298 0.80 SLC8A1 (0.53) HRH3LTA4HALDH1A1MAPTGFER
SCHEMBL4362275 0.80 MAOB (0.49)
SCHEMBL4363466 0.80 MAPT (0.40) HRH3LTA4HALDH1A1MAPTGAA
SCHEMBL4365582 0.79 AR (0.50) HRH3MAPT
SCHEMBL4358398 0.79 SLC8A1 (0.55)

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 HRH3 1703/4885LTA4H 3099/4885ALDH1A1 2695/4885

“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.