SCHEMBL4523872

SCHEMBL4523872

CN1C(=O)C(c2cccc(Br)c2)(c2cccc(OS(=O)(=O)N(C)C)c2)NC1=S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.37
BACE1 P56817 5/20 0.36
ALDH1A1 P00352 5/20 0.32
RAB9A P51151 5/20 0.32
MEN1 O00255 4/20 0.32
NPC1 O15118 4/20 0.32
KMT2A Q03164 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 2/20 0.32
NFKB1 P19838 1/20 0.32
STAT3 P40763 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FAAH O00519 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
GAA P10253 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
SCHEMBL4514381 0.89 CNR1 (0.39) CNR1BACE1FAAHRXFP1
SCHEMBL4914059 0.88 CNR1 (0.34) CNR1ALDH1A1RAB9AMEN1NPC1
SCHEMBL4512301 0.87 CNR1 (0.40) CNR1BACE1ALDH1A1FAAHLMNA
SCHEMBL4234620 0.86 BACE1 (0.43) CNR1BACE1MEN1KMT2AMAPT
SCHEMBL4519792 0.86 CNR1 (0.41) CNR1BACE1FAAHRXFP1
SCHEMBL4516588 0.84 CNR1 (0.40) CNR1BACE1ALDH1A1FAAHLMNA
SCHEMBL4517986 0.84 BACE1 (0.36) CNR1BACE1
SCHEMBL4517979 0.82 RXFP1 (0.35) CNR1BACE1ALDH1A1FAAHLMNA
SCHEMBL4524550 0.81 CNR1 (0.43) CNR1BACE1FAAHRXFP1
SCHEMBL4514746 0.81 CNR1 (0.35) CNR1BACE1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233930-A9 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) 2009-09-17 US claimed
US-20080293718-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) 2008-11-27 US claimed
US-20090233930-A9 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) 2009-09-17 US disclosed
US-20080293718-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) 2008-11-27 US disclosed
EP-1979324-A2 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) 2008-10-15 EP disclosed
WO-2007058602-A2 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
WO-2007058602-A2 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 (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-20090233930-A9 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 CNR1 1128/4885BACE1 14/4885ALDH1A1 1372/4885
US-20080293718-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 CNR1 1128/4885BACE1 14/4885ALDH1A1 1372/4885

“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.