SCHEMBL4066340

SCHEMBL4066340

S=C=NC(c1ccccc1)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.50
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
SLC6A9 P48067 2/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL8277843 0.87 MIF (0.40) MIFIDO1TDO2ALDH1A1
SCHEMBL3931566 0.87 MIF (0.38) MIFIDO1TDO2ALDH1A1KMT2A
SCHEMBL3941261 0.85 MIF (0.49) MIFIDO1TDO2ALDH1A1MEN1
SCHEMBL1247431 0.83 MIF (0.61) MIFALDH1A1
SCHEMBL4073072 0.83 MAOB (0.42) MIFIDO1TDO2
SCHEMBL4072488 0.82 MIF (0.36) MIFIDO1TDO2ALDH1A1MAPK1
SCHEMBL4066944 0.82 MIF (0.36) MIFIDO1TDO2ALDH1A1MAPK1
SCHEMBL13933044 0.80 PDE2A (0.38) MIFIDO1TDO2ALDH1A1MEN1
SCHEMBL14267007 0.80 IDO1 (0.47) IDO1TDO2ALDH1A1MEN1KMT2A
SCHEMBL4069428 0.80 MIF (0.37) MIFIDO1TDO2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501040-A Amino-imidazolines 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
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-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
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
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-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-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US 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-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
EP-0000952-B1 BENZHYDRYL GUANIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS McNeilab, Inc. (US) 1981-02-11 EP disclosed
US-4161541-A HYPOGLYCEMIC AGENTS MCNEIL LABORATORIES, INC. (US) 1979-07-17 US disclosed
EP-0000952-A1 Benzhydryl guanidine derivatives and pharmaceutical compositions McNeilab, Inc. (US) 1979-03-07 EP disclosed
US-4101659-A LOWERING BLOOD SUGAR MCNEIL LABORATORIES, INCORPORATED (US) 1978-07-18 US 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-20080058349-A1 New Compounds 318 PSEN2, PSEN1, MAPT MIF 3256/4885IDO1 4221/4885TDO2 4819/4885
US-20080051420-A1 New Compounds 317 PSEN2, PSEN1, MAPT MIF 3304/4885IDO1 4266/4885TDO2 4821/4885

“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.