SCHEMBL11896944

SCHEMBL11896944

O=C(O)NCc1noc(-c2c3ccccc3nn2Cc2ccccn2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.46
SCN1A P35498 2/20 0.45
SCN4A P35499 2/20 0.45
SCN5A Q14524 2/20 0.45
SCN9A Q15858 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN3A Q9NY46 2/20 0.45
SCN10A Q9Y5Y9 2/20 0.45
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 4/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 2/20 0.38
HPGD P15428 2/20 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
SCHEMBL13583942 0.92 SCN8A (0.52) SCN8ACYP1A2CYP2D6SCN1ASCN4A
SCHEMBL12649290 0.86 CYP1A2 (0.53) SCN8ACYP1A2CYP2D6SCN1ASCN4A
SCHEMBL1768258 0.83 CYP1A2 (0.71) SCN8ACYP1A2CYP2D6SCN1ASCN4A
SCHEMBL1768502 0.81 CYP1A2 (0.48) SCN8ACYP1A2CYP2D6SCN1ASCN4A
SCHEMBL11896994 0.79 SCN8A (0.67) SCN8ACYP1A2CYP2D6SCN1ASCN4A
SCHEMBL11896945 0.78 CYP1A2 (0.45) SCN8ACYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL1768500 0.78 CYP1A2 (0.41) SCN8ACYP1A2CYP2D6SCN1ASCN4A
SCHEMBL11896946 0.77 CYP1A2 (0.54) SCN8ACYP1A2CYP2D6SCN1ASCN4A
SCHEMBL12648966 0.71 SCN8A (0.76) SCN8ACYP1A2CYP2D6SCN1ASCN4A
SCHEMBL1768208 0.69 SCN8A (0.52) SCN8ACYP1A2CYP2D6SCN1ASCN4A

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 2 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
EP-2483270-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2012-08-08 EP 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 103/4885CYP1A2 874/4885CYP2D6 2300/4885

“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.