SCHEMBL4237986

SCHEMBL4237986

CC(=O)c1cccc(-c2cccc(C3(c4ccccc4)NC(N)(OC(=O)C(F)(F)F)N(C)C3=O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
PGR P06401 1/20 0.34
TDP2 O95551 2/20 0.34
APAF1 O14727 1/20 0.34
HDAC2 Q92769 1/20 0.34
MYC P01106 1/20 0.33
WDR5 P61964 1/20 0.33
BACE1 P56817 5/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
NPY5R Q15761 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSNK1G2 P78368 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL4228722 0.94 MAPT (0.36) CHEK1HDAC2BACE1AKT1AKT2
SCHEMBL4232737 0.92 BACE1 (0.38) BACE1
SCHEMBL4234507 0.89 BACE1 (0.35) BACE1
SCHEMBL4232217 0.88 HSD11B1 (0.36) BACE1
SCHEMBL4242601 0.88 PTPN5 (0.35) BACE1
SCHEMBL4238299 0.88 BACE1 (0.39) BACE1
SCHEMBL4237650 0.88 GRIN1 (0.37)
SCHEMBL4231987 0.87 TACR1 (0.34) BACE1
SCHEMBL4236897 0.87 BACE1 (0.34) BACE1LIPG
SCHEMBL4232074 0.87 DHODH (0.36) HDAC2BACE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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 CHEK1 875/4885PGR 4520/4885TDP2 76/4885

“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.