SCHEMBL3458301

SCHEMBL3458301

COc1ccc(C(=O)c2cccc(Br)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.69
MAPT P10636 2/20 0.69
MAPK1 P28482 2/20 0.69
MEN1 O00255 1/20 0.69
RAB9A P51151 1/20 0.69
KMT2A Q03164 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
STS P08842 2/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 4/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53

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
SCHEMBL4238012 0.88 CES2 (0.62) LMNAMAPTMAPK1MEN1RAB9A
SCHEMBL30136061 0.88 CES2 (0.62) LMNAMAPTMAPK1MEN1RAB9A
SCHEMBL10969744 0.88 ALDH1A1 (0.68) LMNAMAPTMAPK1MEN1RAB9A
SCHEMBL18529825 0.87 CES2 (0.51) LMNAMAPTMAPK1MEN1RAB9A
SCHEMBL4120055 0.87 CES2 (0.66) LMNAMAPTMAPK1MEN1RAB9A
SCHEMBL3672143 0.86 SRD5A2 (0.53) LMNAMAPTMAPK1MEN1RAB9A
SCHEMBL3838580 0.86 PARP1 (0.63) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL21629499 0.85 ELANE (0.67) LMNAMAPTMAPK1MEN1RAB9A
SCHEMBL2303699 0.84 STS (0.72) LMNAMAPTMAPK1MEN1RAB9A
SCHEMBL7655531 0.84 LMNA (0.51) LMNAMAPTMAPK1MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758059-B1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME (US) 2018-10-24 EP disclosed
US-9079930-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-07-14 US disclosed
US-9079930-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-07-14 US disclosed
US-9079930-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-07-14 US disclosed
US-20140349972-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP (US) 2014-11-27 US disclosed
US-20140349972-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP (US) 2014-11-27 US disclosed
US-20140349972-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP (US) 2014-11-27 US disclosed
EP-2758059-A1 SUBSTITUTED PYRIMIDINES Merck Sharp & Dohme Corp. (US) 2014-07-30 EP disclosed
WO-2013043624-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013043624-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
US-7563796-B2 Diphenylimidazopyrimidines as inhibitors of β-secretase WYETH (US) 2009-07-21 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
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
EP-1836208-A2 AMINO-IMIDAZOLONES FOR THE INHIBITION OF ß-SECRETASE Wyeth Incoporated (US) 2007-09-26 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
US-20060160828-A1 Amino-imidazolones for the inhibition of beta-secretase WYETH (US) 2006-07-20 US disclosed
WO-2006076284-A2 AMINO-IMIDAZOLONES FOR THE INHIBITION OF ß-SECRETASE WYETH (US) 2006-07-20 WO disclosed
EP-0085959-B1 AROMATIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1989-04-19 EP disclosed
US-4564685-A ANTIHISTAMINES BURROUGHS WELLCOME CO., A CORP OF NC. 1986-01-14 US disclosed
EP-0085959-A2 Aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1983-08-17 EP 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 LMNA 3146/4885MAPT 2/4885MAPK1 613/4885
US-20060160828-A1 Amino-imidazolones for the inhibition of beta-secretase BACE1, BACE2, APP LMNA 818/4885MAPT 13/4885MAPK1 1485/4885
US-20140349972-A1 SUBSTITUTED PYRIMIDINES HIF1AN, HIF1A, EGLN3 LMNA 4156/4885MAPT 4475/4885MAPK1 3678/4885

“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.