SCHEMBL3930666

SCHEMBL3930666

COc1ccc(C(N=C=S)c2ccc(F)c(Br)c2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.33
PTGS1 P23219 2/20 0.33
NQO2 P16083 1/20 0.33
MIF P14174 1/20 0.33
PARP1 P09874 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALOX15 P16050 1/20 0.33
FFAR1 O14842 1/20 0.31
NAAA Q02083 3/20 0.31
TUBB1 Q9H4B7 2/20 0.31
RAB9A P51151 1/20 0.30
PPARD Q03181 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
SCHEMBL8231784 0.85 ALOX15 (0.38) PTGS2PTGS1NQO2PARP1SLC6A2
SCHEMBL14077923 0.80 PTGS2 (0.32) PTGS2PTGS1NQO2SLC6A2SLC6A4
SCHEMBL3931101 0.80 PTGS2 (0.39) PTGS2PTGS1NQO2PARP1SLC6A2
SCHEMBL3929152 0.76 PARP1 (0.35) PARP1
SCHEMBL2287836 0.66 ALOX15 (0.46) PTGS2PTGS1NQO2ALOX15TUBB1
SCHEMBL13413339 0.65 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3ALOX15FFAR1
SCHEMBL5592068 0.65 SLC6A2 (0.48) NQO2SLC6A2SLC6A4SLC6A3ALOX15
SCHEMBL16231322 0.65 SLC6A2 (0.44) NQO2SLC6A2SLC6A4SLC6A3ALOX15
SCHEMBL2867341 0.64 PARP1 (0.37) PARP1
SCHEMBL4700596 0.64 MIF (0.64) MIF

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 4 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-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
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

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-20080214577-A1 New Compounds 320 PSEN1, PSEN2, MAPT PTGS2 3233/4885PTGS1 2295/4885NQO2 2669/4885

“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.