SCHEMBL8207447

SCHEMBL8207447

Oc1cccc(-c2cccc(Br)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 14/20 0.65
HSD17B2 P37059 13/20 0.65
CYP3A4 P08684 3/20 0.65
CYP2C9 P11712 2/20 0.65
ESR1 P03372 3/20 0.54
ESR2 Q92731 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2B6 P20813 1/20 0.54
CYP2C19 P33261 1/20 0.54
CA12 O43570 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50

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
SCHEMBL49927 0.85
SCHEMBL29505543 0.85
SCHEMBL29546450 0.84 ALDH1A1 (0.52) CYP1A2ALDH1A1HSD17B10
SCHEMBL69369 0.84 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL312091 0.84 ALDH1A1 (0.52) CYP1A2ALDH1A1HSD17B10
SCHEMBL29551999 0.84 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL572425 0.84 HSD17B1 (0.77) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL1513621 0.84 ESR1 (0.70) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
Phosphine SCHEMBL4337915 0.82
Resorcinol SCHEMBL29270362 0.82 ALDH1A1 (0.67) HSD17B1HSD17B2CYP3A4CYP2C9CA12

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 5 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 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-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors ASTRAZENECA AB (SE) 2008-07-24 US disclosed
WO-2008076046-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 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 (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-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors BACE1, BACE2, PSEN1 HSD17B1 316/4885HSD17B2 661/4885CYP3A4 1599/4885
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 HSD17B1 2523/4885HSD17B2 2267/4885CYP3A4 3572/4885
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 HSD17B1 2523/4885HSD17B2 2267/4885CYP3A4 3572/4885

“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.