SCHEMBL4247312

SCHEMBL4247312

CN(C)C(=O)c1ccc(C2(c3cccc(Br)c3)NC(=S)SC2=S)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
LMNA P02545 1/20 0.33
PRF1 P14222 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 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
SCHEMBL4010300 0.92 CDK4 (0.35) LMNACISD1ALDH1A1CDK4CCND1
SCHEMBL4248380 0.80 CISD1 (0.37) CYP2C9CISD1ALDH1A1CHRNA1CHRNG
SCHEMBL4010167 0.78 RXFP1 (0.37) CISD1ALDH1A1SLC6A2CHRNA4SLC6A3
SCHEMBL4248014 0.74 MAOB (0.38) LMNACISD1ALDH1A1HPGDCHRNA1
SCHEMBL14003394 0.73 GSK3B (0.32)
SCHEMBL2798454 0.73 CTSD (0.40) CISD1SLC6A4SLC6A3
SCHEMBL4252684 0.72 LDHA (0.37) CISD1ALDH1A1
SCHEMBL5094479 0.72 BACE1 (0.46) OPRD1OPRK1
SCHEMBL4252191 0.72 CISD1 (0.33) CISD1
SCHEMBL8278809 0.71 MAOB (0.38) LMNASMN1; SMN2HTTCISD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035423-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA AstraZeneca AB (SE) 2009-03-18 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-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-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
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 HSP90AA1 2490/4885HSP90AB1 1498/4885CYP2C9 4606/4885
US-20080051420-A1 New Compounds 317 PSEN2, PSEN1, MAPT HSP90AA1 2365/4885HSP90AB1 1345/4885CYP2C9 4629/4885

“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.