SCHEMBL4229652

SCHEMBL4229652

O=C(C(=O)c1cccc(Br)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.61
CES1 P23141 5/20 0.61
PARP1 P09874 1/20 0.61
ALDH1A1 P00352 4/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.53
GAA P10253 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
C1S P09871 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL6670439 0.93 PARP1 (0.68) CES2CES1PARP1ALDH1A1TP53
SCHEMBL28473333 0.89 CES2 (0.67) CES2CES1PARP1ALDH1A1TP53
SCHEMBL2684848 0.87 PARP1 (0.61) PARP1ALDH1A1TP53SMN1; SMN2HPGD
SCHEMBL4524448 0.86 CES2 (0.61) CES2CES1PARP1ALDH1A1TP53
SCHEMBL4204051 0.84 CES2 (0.64) CES2CES1PARP1ALDH1A1RAB9A
SCHEMBL4847237 0.84 CES2 (0.64) CES2CES1PARP1ALDH1A1RAB9A
SCHEMBL9125529 0.84 CES2 (0.59) CES2CES1PARP1ALDH1A1TP53
SCHEMBL28771843 0.84 PARP1 (0.53) CES2CES1PARP1ALDH1A1TP53
SCHEMBL2657896 0.84 MAPT (0.57) CES2CES1PARP1ALDH1A1TP53
SCHEMBL10410934 0.84 CES2 (0.78) CES2CES1ALDH1A1RAB9ATDP1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3799143-B1 FIRST AND SECOND ORGANIC SEMICONDUCTOR LAYER AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME NOVALED GMBH (DE) 2024-09-11 EP disclosed
EP-4035217-B1 FIRST AND SECOND ORGANIC SEMICONDUCTOR LAYER AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME NOVALED GMBH (DE) 2024-09-11 EP disclosed
CN-112368858-B Organic material for electronic optoelectronic device and electronic device comprising the same 诺瓦尔德股份有限公司 2024-08-02 CN disclosed
EP-3582280-B1 ORGANIC MATERIAL FOR AN ELECTRONIC OPTOELECTRONIC DEVICE AND ELECTRONIC DEVICE COMPRISING THE ORGANIC MATERIAL NOVALED GMBH (DE) 2024-03-20 EP disclosed
EP-3798213-B1 ORGANIC SEMICONDUCTOR LAYER, ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME AND COMPOUNDS THEREFOR NOVALED GMBH (DE) 2024-01-10 EP disclosed
US-20230240136-A1 First and Second Organic Semiconductor Layer and Organic Electronic Device Comprising the Same NOVALED GMBH (DE) 2023-07-27 US disclosed
US-20230240136-A1 First and Second Organic Semiconductor Layer and Organic Electronic Device Comprising the Same NOVALED GMBH (DE) 2023-07-27 US disclosed
US-20230240136-A1 First and Second Organic Semiconductor Layer and Organic Electronic Device Comprising the Same NOVALED GMBH (DE) 2023-07-27 US disclosed
EP-3807941-B1 ORGANIC MATERIAL FOR AN ELECTRONIC OPTOELECTRONIC DEVICE AND ELECTRONIC DEVICE COMPRISING THE ORGANIC MATERIAL NOVALED GMBH (DE) 2023-05-03 EP disclosed
EP-3807941-B1 ORGANIC MATERIAL FOR AN ELECTRONIC OPTOELECTRONIC DEVICE AND ELECTRONIC DEVICE COMPRISING THE ORGANIC MATERIAL NOVALED GMBH (DE) 2023-05-03 EP disclosed
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
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
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
US-20090093498-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-04-09 US disclosed
US-7482349-B2 Amino-5,5-diphenylimidazolone derivatives for the inhibition of β-secretase WYETH (US) 2009-01-27 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
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
US-4071570-A ANTIARRHYTHMIC AGENTS MERCK & CO., INC. (US) 1978-01-31 US disclosed
US-3978127-A ANTIARRHYTHMIC MERCK & CO., INC. (US) 1976-08-31 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 (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-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 CES2 2414/4885CES1 2700/4885PARP1 2812/4885
US-20090093498-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP CES2 3023/4885CES1 913/4885PARP1 2176/4885
US-20230240136-A1 First and Second Organic Semiconductor Layer and Organic Electronic Device Comprising the Same OR10J3, AXIN2, POU2F1 CES2 2797/4885CES1 4146/4885PARP1 2473/4885

“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.