SCHEMBL9607810

SCHEMBL9607810

Nc1nnc(C2(c3ccc(Cl)cc3Cl)CC2)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
HSD11B2 P80365 1/20 0.41
PIK3CG P48736 1/20 0.41
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
HTR2B P41595 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAOA P21397 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRA1A P35348 1/20 0.33
SCN4A P35499 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
PDE3A Q14432 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 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
SCHEMBL976986 0.79 BACE1 (0.46) HSD11B1HSD11B2PIK3CGADORA2AADORA1
SCHEMBL1025471 0.75 BACE1 (0.48) HSD11B1HSD11B2
SCHEMBL1023748 0.75 BACE1 (0.51) HSD11B1HSD11B2PIK3CGSLC6A4SLC6A3
SCHEMBL978581 0.74 BACE1 (0.50) HSD11B1HSD11B2PIK3CGSLC6A4SLC6A3
SCHEMBL28636434 0.69 HDAC6 (0.46)
SCHEMBL9607818 0.69 CSNK1A1 (0.44) HSD11B1HSD11B2CYP2D6ADORA2AADORA1
SCHEMBL31544625 0.66 CYP2D6 (0.57) PIK3CGSMN1; SMN2HSP90AA1HSP90AB1HTR2B
SCHEMBL3938440 0.66 CYP2D6 (0.57) PIK3CGSMN1; SMN2HSP90AA1HSP90AB1HTR2B
SCHEMBL31463178 0.66 CYP2D6 (0.57) PIK3CGSMN1; SMN2HSP90AA1HSP90AB1HTR2B
SCHEMBL9607809 0.65 CSNK1A1 (0.43) HSD11B1HSD11B2ADORA2AADORA1ALDH1A1

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
EP-2451807-B1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-09-02 EP disclosed
US-8748600-B2 Cyclic triazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2014-06-10 US disclosed
US-8748600-B2 Cyclic triazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2014-06-10 US disclosed
US-20120135993-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2012-05-31 US disclosed
US-20120135993-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2012-05-31 US disclosed
WO-2011004196-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 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-20120135993-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS SCN1B, HCN3, SCN5A HSD11B1 604/4885HSD11B2 618/4885PIK3CG 3241/4885

“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.