SCHEMBL4360258

SCHEMBL4360258

Nc1ccc(Oc2ccc3c(c2)SCC(c2ccccc2)O3)nc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
BRCA1 P38398 1/20 0.42
HBB P68871 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC8A1 P32418 14/20 0.41
POLB P06746 2/20 0.40
CSF1R P07333 1/20 0.39
RAB9A P51151 1/20 0.38

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
Hydrochloric Acid SCHEMBL4367669 0.99 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL4373674 0.87 SLC8A1 (0.39) SLC8A1CSF1R
SCHEMBL4368081 0.83 HSPB1 (0.45) KDM4EMEN1KMT2AALDH1A1SLC8A1
SCHEMBL4956326 0.81 HRH3 (0.45) MEN1KMT2ASLC8A1
SCHEMBL4366448 0.81 CSF1R (0.43) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL4360163 0.80 SLC8A1 (0.61) SLC8A1
Hydrochloric Acid SCHEMBL4370697 0.79 SLC8A1 (0.60) SLC8A1
SCHEMBL4371035 0.79 AR (0.60) KDM4EALDH1A1HSD17B10POLBRAB9A
SCHEMBL4362574 0.79 MAPT (0.43) KDM4EMEN1KMT2AALDH1A1SLC8A1
SCHEMBL4370690 0.77 SLC8A1 (0.53) 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 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 KDM4E 1318/4885MEN1 4334/4885KMT2A 1623/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU KDM4E 1769/4885MEN1 1596/4885KMT2A 4533/4885

“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.