SCHEMBL4888786

SCHEMBL4888786

COc1ccc(C2(c3cccc(Br)c3)NC(=S)N3CCN=C32)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.47
CTSD P07339 4/20 0.41
BACE2 Q9Y5Z0 4/20 0.40
RXFP1 Q9HBX9 1/20 0.37
HDAC8 Q9BY41 2/20 0.34
HDAC4 P56524 1/20 0.34
RORC P51449 1/20 0.34
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PTAFR P25105 1/20 0.32

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
SCHEMBL4883711 0.94 BACE1 (0.48) BACE1CTSDBACE2RXFP1RORC
SCHEMBL8217676 0.88 BACE1 (0.37) BACE1CTSDHDAC8HDAC4SLC6A3
SCHEMBL4894742 0.87 BACE1 (0.39) BACE1CTSDBACE2RXFP1
SCHEMBL13933042 0.87 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL4883739 0.87 BACE1 (0.53) BACE1CTSDBACE2SLC6A3
SCHEMBL4242114 0.86 BACE1 (0.37) BACE1CTSDHDAC8HDAC4SLC6A3
SCHEMBL4884626 0.85 BACE1 (0.37) BACE1CTSD
SCHEMBL4881837 0.84 BACE1 (0.66) BACE1CTSDBACE2RXFP1
SCHEMBL8277203 0.84 BACE1 (0.45) BACE1CTSDBACE2
SCHEMBL4890877 0.83 BACE1 (0.44) BACE1CTSDBACE2RXFP1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007145568-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
WO-2007145569-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US disclosed
WO-2007145568-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
WO-2007145569-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 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 (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-20080058349-A1 New Compounds 318 PSEN2, PSEN1, MAPT BACE1 5/4885CTSD 1887/4885BACE2 19/4885
US-20080051420-A1 New Compounds 317 PSEN2, PSEN1, MAPT BACE1 6/4885CTSD 2053/4885BACE2 20/4885

“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.