SCHEMBL4784283

SCHEMBL4784283

O=C(C(=O)c1ccnc(Cl)c1)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.47
CPT1B Q92523 1/20 0.44
CES1 P23141 3/20 0.42
MAPK1 P28482 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
TAS1R2 Q8TE23 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
SMARCA2 P51531 2/20 0.39
SMARCA4 P51532 2/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
PROKR1 Q8TCW9 1/20 0.38

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
SCHEMBL5197732 0.87 CES2 (0.59) CES2CES1TAS1R3TAS1R1TAS1R2
SCHEMBL10080304 0.84 CES1 (0.55) CES2CES1TAS1R3TAS1R1TAS1R2
SCHEMBL4785414 0.80 CES2 (0.59) CES2CES1CYP11B1CYP11B2MAPT
SCHEMBL9446705 0.79 CYP11B1 (0.46) TAS1R3TAS1R1TAS1R2CYP11B1CYP11B2
SCHEMBL27623752 0.77 RECQL (0.47) TAS1R3TAS1R1TAS1R2CYP11B1CYP11B2
SCHEMBL4785629 0.76 MAPT (0.50) CES2CPT1BCES1MAPK1MAPT
SCHEMBL40123 0.75 KDM4C (0.61) TAS1R3TAS1R1TAS1R2RECQLMAPT
SCHEMBL14204663 0.75 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2CYP11B1CYP11B2
SCHEMBL73194 0.75 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2CYP11B1CYP11B2
SCHEMBL4783533 0.75 PARP1 (0.47) MAPK1RECQLMAPTPKMHPGD

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-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
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
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-2008076046-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 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 (1 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 CES2 1191/4885CPT1B 2432/4885CES1 170/4885

“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.