SCHEMBL4069428

SCHEMBL4069428

S=C=NC(c1cccc(Br)c1)c1ccco1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.37
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 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
SCHEMBL14376750 0.83 IDO1 (0.35) IDO1TDO2MEN1KMT2ASMN1; SMN2
SCHEMBL4066340 0.80 MIF (0.50) MIFIDO1TDO2MEN1KMT2A
SCHEMBL4066944 0.78 MIF (0.36) MIFIDO1TDO2ALDH1A1MAPK1
SCHEMBL14258119 0.78 GBA1 (0.32) IDO1TDO2ALDH1A1MAPK1
SCHEMBL3931566 0.75 MIF (0.38) MIFIDO1TDO2KMT2AALDH1A1
SCHEMBL8277843 0.75 MIF (0.40) MIFIDO1TDO2SMN1; SMN2ALDH1A1
SCHEMBL4073072 0.73 MAOB (0.42) MIFIDO1TDO2
SCHEMBL3941261 0.72 MIF (0.49) MIFIDO1TDO2MEN1KMT2A
SCHEMBL4072488 0.72 MIF (0.36) MIFIDO1TDO2ALDH1A1MAPK1
SCHEMBL13933061 0.72 MAOA (0.40) MIFMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506212-A Amino-imidazolones and their use as medicaments for the treatment of cognitive impairment, Alzheimer's disease, neurodegeneration and dementia ASTRAZENECA AB (SE) 2009-08-12 CN disclosed
CN-101501041-A Amino-imidazolones and their use as medicaments for the treatment of cognitive impairment, Alzheimer's disease, neurodegeneration and dementia ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2035424-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
EP-2035425-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-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
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
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-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
WO-2007145569-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-20070299087-A1 New Compounds 319 PSEN2, PSEN1, MAPT MIF 3207/4885IDO1 4144/4885TDO2 4808/4885
US-20080058349-A1 New Compounds 318 PSEN2, PSEN1, MAPT MIF 3256/4885IDO1 4221/4885TDO2 4819/4885

“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.