SCHEMBL7698585

SCHEMBL7698585

NC1=N[C@@](c2cccc(Br)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.71
KCNH2 Q12809 16/20 0.71
BACE2 Q9Y5Z0 4/20 0.71

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
SCHEMBL1356685 1.00 BACE1 (0.71) BACE1KCNH2BACE2
SCHEMBL2468820 0.90 BACE1 (0.69) BACE1KCNH2BACE2
Azd-3839 SCHEMBL2465855 0.90 BACE1 (0.90) BACE1KCNH2BACE2
SCHEMBL12136046 0.87 BACE1 (0.71) BACE1KCNH2BACE2
SCHEMBL7918702 0.86 BACE1 (0.72) BACE1KCNH2BACE2
SCHEMBL2465221 0.85 BACE1 (0.58) BACE1KCNH2BACE2
SCHEMBL2463250 0.84 BACE1 (0.69) BACE1KCNH2BACE2
SCHEMBL2496387 0.83 BACE1 (0.71) BACE1KCNH2BACE2
Azd-3839 SCHEMBL12136074 0.83 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL12191257 0.83 BACE1 (0.86) BACE1KCNH2BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281894-A1 HEMIFUMARATE SALT ASTRAZENECA AB (SE) 2011-11-17 US disclosed
US-20110281894-A1 HEMIFUMARATE SALT ASTRAZENECA AB (SE) 2011-11-17 US disclosed
WO-2011142716-A1 NOVEL HEMIFUMARATE SALT OF ISOINDOLE COMPOUND ACTING AS BACE INHIBITOR ASTRAZENECA AB (SE) 2011-11-17 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-20110281894-A1 HEMIFUMARATE SALT PSEN1, PSEN2, SNCA BACE1 5/4885KCNH2 4502/4885BACE2 13/4885

“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.