SCHEMBL8222467

SCHEMBL8222467

Fc1ccc(C(N=S)c2ccncc2)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.33
DPP4 P27487 2/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
DPP8 Q6V1X1 1/20 0.31
AKT1 P31749 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
RXRA P19793 2/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30
HDAC4 P56524 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL3929152 0.84 PARP1 (0.35) PARP1CYP17A1CYP19A1DPP4AKR1C3
SCHEMBL14077920 0.81 PARP1 (0.32) PARP1CYP17A1
SCHEMBL14258127 0.79 DPP4 (0.33) PARP1CYP17A1DPP4DPP8
SCHEMBL3930723 0.76 DPP4 (0.41) PARP1CYP17A1CYP19A1DPP4AKR1C3
SCHEMBL8234210 0.74 SLC6A2 (0.37) CYP3A4CYP2C19POLB
SCHEMBL8231784 0.74 ALOX15 (0.38) PARP1CYP3A4
SCHEMBL8243510 0.68 PARP1 (0.42) PARP1RXRAGRIN1GRIN2B
SCHEMBL31550151 0.68 PARP1 (0.42) PARP1RXRAGRIN1GRIN2B
SCHEMBL4444491 0.66 PARP1 (0.41) PARP1DPP4AKT1CYP2C19RXRA
SCHEMBL22417087 0.66 DPP4 (0.36) CYP17A1CYP19A1DPP4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2007145570-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-2007145569-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-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 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-2007145570-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 (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-20070299087-A1 New Compounds 319 PSEN2, PSEN1, MAPT PARP1 3433/4885CYP17A1 1235/4885CYP19A1 4013/4885
US-20080214577-A1 New Compounds 320 PSEN1, PSEN2, MAPT PARP1 3269/4885CYP17A1 1095/4885CYP19A1 4014/4885
US-20080058349-A1 New Compounds 318 PSEN2, PSEN1, MAPT PARP1 3143/4885CYP17A1 1421/4885CYP19A1 4093/4885

“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.