SCHEMBL4510797

SCHEMBL4510797

COc1cc(O)cc(-c2cccc(C=O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.54
BCR P11274 5/20 0.54
ABCB1 P08183 4/20 0.54
CYP3A4 P08684 2/20 0.51
CYP1A1 P04798 2/20 0.51
CYP1B1 Q16678 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP4B1 P13584 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP3A5 P20815 1/20 0.51
CYP2A7 P20853 1/20 0.51
CYP3A7 P24462 1/20 0.51
CYP2F1 P24903 1/20 0.51
CYP2C18 P33260 1/20 0.51
CYP2C19 P33261 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
SCHEMBL2591901 0.84 ERN1 (0.55) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL2560257 0.81 TRIM24 (0.60) ABL1BCRABCB1CYP3A4CYP1A1
SCHEMBL32688276 0.79 ABL1 (0.58) ABL1BCRABCB1CYP3A4CYP1A1
SCHEMBL1977748 0.79 ABL1 (0.58) ABL1BCRABCB1CYP3A4CYP1A1
SCHEMBL16180350 0.78 CYP1A1 (0.51) ABL1BCRABCB1CYP3A4CYP1A1
SCHEMBL7886087 0.78 HSD17B1 (0.58) CYP3A4CYP1A2CYP2D6CYP2C9CYP2B6
SCHEMBL6068053 0.77 ABL1 (0.62) ABL1BCRABCB1CYP3A4CYP1A1
SCHEMBL21296972 0.77 ABL1 (0.73) ABL1BCRABCB1CYP3A4CYP1A1
SCHEMBL2545199 0.77 ABCB1 (0.62) ABL1BCRABCB1CYP3A4CYP1A1
SCHEMBL378297 0.76 CYP1A1 (0.58) ABL1BCRABCB1CYP3A4CYP1A1

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 12 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-2986607-B1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-06-14 EP disclosed
US-9527867-B2 Antibacterial biaromatic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-12-27 US disclosed
US-20160075722-A1 Antibacterial Biaromatic Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-17 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-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
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
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 (3 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-20160075722-A1 Antibacterial Biaromatic Derivatives CYC1, C5, CYCS ABL1 97/4885BCR 144/4885ABCB1 2568/4885
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 ABL1 3370/4885BCR 4852/4885ABCB1 2506/4885
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 ABL1 3370/4885BCR 4852/4885ABCB1 2506/4885

“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.