Sugi Predict

Sugi Predict / Compounds / SCHEMBL1768182

SCHEMBL1768182

SCHEMBL1768182

NCc1noc(-c2c3ccccc3nn2CCc2cccs2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 8/20 0.72
▸ CYP1A2 P05177 7/20 0.72
▸ SCN8A Q9UQD0 3/20 0.61
▸ CYP3A4 P08684 1/20 0.42
▸ SCN1A P35498 1/20 0.36
▸ SCN4A P35499 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL1768208 0.82 SCN8A (0.52) CYP2D6CYP1A2SCN8ASCN1ASCN4A
SCHEMBL1768416 0.81 CYP1A2 (0.51) CYP2D6CYP1A2SCN8ASCN1ASCN4A
SCHEMBL12649293 0.79 CYP1A2 (0.51) CYP2D6CYP1A2SCN8ASCN1ASCN4A
SCHEMBL11896947 0.78 CYP1A2 (0.47) CYP2D6CYP1A2SCN8ACYP3A4SMN1; SMN2
SCHEMBL1768554 0.78 CYP2D6 (0.68) CYP2D6CYP1A2SCN8ACYP3A4SCN1A
SCHEMBL11896968 0.76 CYP1A2 (0.65) CYP2D6CYP1A2SCN8ACYP3A4SCN1A
Ammonia Solution, Strong SCHEMBL1768336 0.75 CYP1A2 (0.64) CYP2D6CYP1A2SCN8ACYP3A4SCN1A
SCHEMBL1768415 0.74 CYP1A2 (0.43) CYP2D6CYP1A2SCN8ACYP3A4SCN1A
SCHEMBL22854566 0.66 NPC1 (0.62) CYP2D6CYP1A2SMN1; SMN2RAB9AKDM4E
SCHEMBL1768557 0.63 CYP1A2 (0.49) CYP2D6CYP1A2SCN8ACYP3A4SCN1A

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-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
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 CYP2D6 2300/4885CYP1A2 874/4885SCN8A 103/4885

“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.