SCHEMBL9607820

SCHEMBL9607820

Cc1ccc(C2(c3nnc(N)nc3N)CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD11B1 P28845 4/20 0.43
HSD11B2 P80365 4/20 0.43
BACE1 P56817 3/20 0.36
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
ALOX5AP P20292 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2B P41595 1/20 0.33
RBP1 P09455 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
SCHEMBL9607812 0.98 HSD11B1 (0.41) ALDH1A1L3MBTL1HSD11B1HSD11B2BACE1
SCHEMBL978581 0.85 BACE1 (0.50) ALDH1A1L3MBTL1HSD11B1HSD11B2BACE1
SCHEMBL9607808 0.84 CSNK1A1 (0.42) ALDH1A1L3MBTL1HSD11B1HSD11B2MEN1
SCHEMBL9607811 0.84 BACE1 (0.54) ALDH1A1L3MBTL1BACE1
SCHEMBL1023748 0.83 BACE1 (0.51) ALDH1A1L3MBTL1HSD11B1HSD11B2BACE1
SCHEMBL9607809 0.83 CSNK1A1 (0.43) ALDH1A1L3MBTL1HSD11B1HSD11B2ALOX5AP
SCHEMBL9607813 0.82 BACE1 (0.54) ALDH1A1L3MBTL1BACE1
SCHEMBL1025471 0.80 BACE1 (0.48) HSD11B1HSD11B2BACE1
SCHEMBL976986 0.78 BACE1 (0.46) ALDH1A1L3MBTL1HSD11B1HSD11B2BACE1
SCHEMBL9607819 0.78 BACE1 (0.49) ALDH1A1BACE1

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 ALDH1A1 2516/4885L3MBTL1 3281/4885HSD11B1 604/4885

“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.