SCHEMBL7941863

SCHEMBL7941863

COc1cccc(-c2cc(C3(c4ccc(N=S(C)(C)=O)cc4)N=C(N)N(C)C3=O)ccc2F)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.60
BACE2 Q9Y5Z0 10/20 0.57
CTSD P07339 9/20 0.57
REN P00797 1/20 0.51

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
Hydrochloric Acid SCHEMBL4121222 0.99 BACE1 (0.59) BACE1BACE2CTSDREN
SCHEMBL4234023 0.88 BACE1 (0.77) BACE1BACE2CTSD
SCHEMBL5069818 0.88 BACE1 (0.77) BACE1BACE2CTSD
SCHEMBL4913709 0.86 BACE1 (0.61) BACE1BACE2CTSDREN
SCHEMBL4913387 0.83 BACE1 (0.59) BACE1BACE2CTSDREN
SCHEMBL4912053 0.82 BACE1 (0.58) BACE1BACE2CTSDREN
SCHEMBL4782043 0.81 BACE1 (0.57) BACE1BACE2CTSDREN
SCHEMBL7941295 0.80 BACE1 (0.69) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL4115960 0.79 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL4783919 0.79 BACE1 (0.63) BACE1BACE2CTSDREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233943-A9 NEW COMPOUNDS 835 ASTEX THERAPEUTICS LIMITED (GB) 2009-09-17 US disclosed
US-20090233943-A9 NEW COMPOUNDS 835 ASTEX THERAPEUTICS LIMITED (GB) 2009-09-17 US disclosed
WO-2008150217-A1 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONE ANALOGS FOR THE INHIBITION OF BETA-SECRETASE ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
US-20080287460-A1 NEW COMPOUNDS 835 ASTEX THERAPEUTICS LIMITED (GB) 2008-11-20 US disclosed
US-20080287460-A1 NEW COMPOUNDS 835 ASTEX THERAPEUTICS LIMITED (GB) 2008-11-20 US 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 (2 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-20080287460-A1 NEW COMPOUNDS 835 GRIK5, MAPT, PSEN1 BACE1 6/4885BACE2 25/4885CTSD 1954/4885
US-20090233943-A9 NEW COMPOUNDS 835 GRIK5, MAPT, PSEN1 BACE1 6/4885BACE2 25/4885CTSD 1954/4885

“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.