SCHEMBL4010300

SCHEMBL4010300

CN(C)C(=O)c1cccc(C2(c3cccc(Br)c3)NC(=S)SC2=S)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
LMNA P02545 2/20 0.34
CISD1 Q9NZ45 1/20 0.32
PARP1 P09874 1/20 0.32
OPRM1 P35372 1/20 0.32
PMM2 O15305 1/20 0.32
MPI P34949 1/20 0.32
PHOSPHO1 Q8TCT1 1/20 0.32
ERN1 O75460 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SLC6A3 Q01959 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALPG P10696 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TLR9 Q9NR96 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
SCHEMBL4247312 0.92 HSP90AA1 (0.34) CDK4CCND1LMNACISD1ALDH1A1
SCHEMBL4248380 0.79 CISD1 (0.37) CISD1ALDH1A1MEN1KMT2ASLC6A3
SCHEMBL4248014 0.75 MAOB (0.38) LMNACISD1ALDH1A1MEN1KMT2A
SCHEMBL4010167 0.74 RXFP1 (0.37) CISD1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL4252684 0.73 LDHA (0.37) CISD1ALDH1A1MEN1KMT2AMAPT
SCHEMBL4252191 0.72 CISD1 (0.33) CISD1
SCHEMBL1368532 0.72 PARP1 (0.57) CDK4CCND1LMNAPARP1ERN1
SCHEMBL29852161 0.72 PARP1 (0.57) CDK4CCND1LMNAPARP1ERN1
SCHEMBL5096670 0.71 BACE1 (0.44) OPRM1MEN1KMT2ASLC6A3CHRNA1
SCHEMBL13230550 0.71 BACE1 (0.33) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044072-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA AstraZeneca AB (SE) 2009-04-08 EP disclosed
WO-2007145568-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
WO-2007145571-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
US-20080214577-A1 New Compounds 320 ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080214577-A1 New Compounds 320 ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080214577-A1 New Compounds 320 ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US disclosed
WO-2007145571-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
WO-2007145571-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
WO-2007145568-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 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 (2 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-20080214577-A1 New Compounds 320 PSEN1, PSEN2, MAPT CDK4 4265/4885CCND1 4467/4885LMNA 2383/4885
US-20080051420-A1 New Compounds 317 PSEN2, PSEN1, MAPT CDK4 4008/4885CCND1 4369/4885LMNA 2502/4885

“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.