SCHEMBL1768490

SCHEMBL1768490

COc1cccc(C(=O)NCc2noc(-c3nn(CCn4ccnc4)c4ccccc34)n2)c1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.73
SCN4A P35499 2/20 0.73
SCN5A Q14524 2/20 0.73
SCN9A Q15858 2/20 0.73
SCN2A Q99250 2/20 0.73
SCN3A Q9NY46 2/20 0.73
SCN8A Q9UQD0 2/20 0.73
SCN10A Q9Y5Y9 2/20 0.73
CYP2D6 P10635 7/20 0.45
CYP1A2 P05177 3/20 0.44
PEX14 O75381 1/20 0.42
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HCRTR1 O43613 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 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
SCHEMBL1768499 0.94 SCN8A (0.73) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL13583699 0.89 SCN1A (0.64) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL13583774 0.85 SCN8A (0.59) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL1768467 0.84 SCN8A (1.00) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL13583746 0.84 SCN8A (0.73) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL11896942 0.83 SCN8A (0.85) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL1768322 0.83 SCN1A (0.66) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL1768419 0.83 SCN1A (0.58) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL1768453 0.82 SCN1A (0.56) SCN1ASCN4ASCN5ASCN9ASCN2A
SCHEMBL1768473 0.82 SCN8A (0.85) SCN1ASCN4ASCN5ASCN9ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283295-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2012-11-08 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
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 SCN1A 11/4885SCN4A 59/4885SCN5A 39/4885

“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.