SCHEMBL4229161

SCHEMBL4229161

COc1cccc(C2(c3cccc(Br)c3)NC(N)(OC(=O)C(F)(F)F)N(C)C2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
BACE1 P56817 3/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
GHSR Q92847 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ELANE P08246 1/20 0.32
KDM1A O60341 1/20 0.32
CTSD P07339 1/20 0.32
CTSE P14091 1/20 0.32
AKR1B1 P15121 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
SCHEMBL4229668 0.94 RXFP1 (0.40) RXFP1BACE1BACE2GHSRMEN1
SCHEMBL4241068 0.90 HCAR3 (0.35) RXFP1HCAR2MEN1POLBKMT2A
SCHEMBL4237695 0.90 BACE1 (0.42) BACE1BACE2CTSD
SCHEMBL4236600 0.89 ABHD10 (0.34) RXFP1BACE1HCAR2MEN1KMT2A
SCHEMBL4238987 0.86 BACE1 (0.45) BACE1BACE2LMNAMEN1POLB
SCHEMBL4228487 0.85 BACE1 (0.40) BACE1BACE2LMNACTSD
SCHEMBL4233930 0.84 BACE1 (0.39) BACE1BACE2CTSD
SCHEMBL4232063 0.84 BACE1 (0.39) BACE1BACE2CTSD
SCHEMBL4232956 0.80 POLB (0.36) BACE1BACE2MEN1POLBKMT2A
SCHEMBL4232737 0.79 BACE1 (0.38) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176850-A1 Novel 2-Amino-Imidazole-4-One Compounds And Their Use In The Manufacture Of A Medicament To Be Used In The Treatment Of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration And Dementia ASTRAZENECA AB (SE) 2009-07-09 US claimed
US-20090176850-A1 Novel 2-Amino-Imidazole-4-One Compounds And Their Use In The Manufacture Of A Medicament To Be Used In The Treatment Of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration And Dementia ASTRAZENECA AB (SE) 2009-07-09 US disclosed
EP-1954682-A1 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER S DISEASE, NEURODEGENERATION AND DEMENTIA Astra Zeneca AB (SE) 2008-08-13 EP disclosed
WO-2007058601-A1 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-05-24 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-20090176850-A1 Novel 2-Amino-Imidazole-4-One Compounds And Their Use In The Manufacture Of A Medicament To Be Used In The Treatment Of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration And Dementia PSEN2, MAPT, PSEN1 RXFP1 4065/4885BACE1 7/4885BACE2 26/4885

“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.