SCHEMBL4515038

SCHEMBL4515038

O=C(C(=O)c1ccc2c(c1)COCC2)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
CTSL P07711 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.39
C1S P09871 1/20 0.38
CYP1A2 P05177 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MTOR P42345 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.37
PIR O00625 1/20 0.36

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
SCHEMBL4525415 0.81 ALDH1A1 (0.54) PARP1CTSLALDH1A1TP53KMT2A
SCHEMBL4522797 0.81 CTSL (0.56) PARP1CTSLALDH1A1TP53KMT2A
SCHEMBL4511538 0.79 PRKCI (0.51) PARP1ALDH1A1TP53KMT2AMAPT
SCHEMBL24159171 0.76 TSHR (0.47) PARP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL5286604 0.76 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL30539307 0.76 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL4523516 0.75 PNMT (0.46) PARP1MAPTTDP1L3MBTL1HTT
SCHEMBL29790845 0.75 PNMT (0.46) PARP1MAPTTDP1L3MBTL1HTT
SCHEMBL8230935 0.75 TDP2 (0.44) ALDH1A1TP53KMT2AMAPTMEN1
SCHEMBL6670439 0.74 PARP1 (0.68) PARP1ALDH1A1TP53KMT2AMEN1

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 13 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-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
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 PARP1 2966/4885CTSL 3859/4885ALDH1A1 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 PARP1 2966/4885CTSL 3859/4885ALDH1A1 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.