SCHEMBL4528787

SCHEMBL4528787

COc1cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(-c2cccc(C(=O)C(=O)c3ccncc3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1B1 Q16678 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP4B1 P13584 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP2A7 P20853 1/20 0.38
CYP3A7 P24462 1/20 0.38
CYP2F1 P24903 1/20 0.38

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
SCHEMBL4513574 0.87 KDM4E (0.43) CES2CES1STIM1ORAI1SLC16A3
SCHEMBL4521014 0.85 ABCB1 (0.38) CES2CES1STIM1ORAI1CYP1A1
SCHEMBL4512745 0.85 CES2 (0.48) CES2CES1STIM1ORAI1HDAC2
SCHEMBL4522965 0.85 CES2 (0.54) CES2CES1STIM1ORAI1HDAC2
SCHEMBL4524021 0.85 KMT2A (0.39) CES2CES1STIM1ORAI1CYP1A1
SCHEMBL4519385 0.83 STIM1 (0.35) CES2CES1STIM1ORAI1CYP1A1
SCHEMBL4516527 0.76 CYP3A4 (0.43) CYP1A1CYP1A2CYP2D6CYP1B1CYP2E1
SCHEMBL5236553 0.76 CA4 (0.40) CYP1A1CYP1A2CYP2D6CYP1B1CYP2E1
SCHEMBL1651928 0.73 KDM4E (0.47) CYP1A1CYP1B1CYP3A4SLC16A3SLC16A1
SCHEMBL16109132 0.73 CES2 (0.71) CES2CES1HDAC2ALDH1A1MAPT

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 8 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
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 claimed
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 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-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
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

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 AURKA 1254/4885CES2 2757/4885CES1 3256/4885
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 AURKA 1254/4885CES2 2757/4885CES1 3256/4885

“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.