SCHEMBL1768467

SCHEMBL1768467

O=C(NCc1noc(-c2nn(CCn3ccnc3)c3ccccc23)n1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 1.00
SCN1A P35498 2/20 1.00
SCN4A P35499 2/20 1.00
SCN5A Q14524 2/20 1.00
SCN9A Q15858 2/20 1.00
SCN2A Q99250 2/20 1.00
SCN3A Q9NY46 2/20 1.00
SCN10A Q9Y5Y9 2/20 1.00
CYP2D6 P10635 9/20 0.47
CYP1A2 P05177 6/20 0.47
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.40
TBXAS1 P24557 1/20 0.39
NAMPT P43490 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL11896942 0.92 SCN8A (0.85) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL1768473 0.92 SCN8A (0.85) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL12649288 0.87 SCN1A (0.80) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL12648966 0.86 SCN8A (0.76) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL12649245 0.85 SCN8A (0.74) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL1768499 0.84 SCN8A (0.73) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL13583746 0.84 SCN8A (0.73) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL1768490 0.84 SCN1A (0.73) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL1768299 0.82 SCN8A (0.69) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL1768250 0.80 SCN8A (0.70) SCN8ASCN1ASCN4ASCN5ASCN9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180068053-A1 SYSTEMS AND METHODS OF SELECTING COMPOUNDS WITH REDUCED RISK OF CARDIOTOXICITY USING CARDIAC SODIUM ION CHANNEL MODELS UNIV ALBERTA (CA) 2018-03-08 US disclosed
US-20180068053-A1 SYSTEMS AND METHODS OF SELECTING COMPOUNDS WITH REDUCED RISK OF CARDIOTOXICITY USING CARDIAC SODIUM ION CHANNEL MODELS UNIV ALBERTA (CA) 2018-03-08 US disclosed
US-20180068053-A1 SYSTEMS AND METHODS OF SELECTING COMPOUNDS WITH REDUCED RISK OF CARDIOTOXICITY USING CARDIAC SODIUM ION CHANNEL MODELS UNIV ALBERTA (CA) 2018-03-08 US disclosed
US-20120283295-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2012-11-08 US disclosed
EP-2483270-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2012-08-08 EP disclosed
WO-2011061469-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2011-05-26 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-20120283295-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS SCN3A, CACNB3, CACNA1B SCN8A 103/4885SCN1A 11/4885SCN4A 59/4885

“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.