SCHEMBL4069554

SCHEMBL4069554

NC(c1cccc(Br)c1)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MAOA P21397 1/20 0.33
GBA1 P04062 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
C1S P09871 1/20 0.32
PARP1 P09874 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4523055 0.77 CYP2C19 (0.50) CYP2C19KMT2AALDH1A1POLBPKM
Hydrochloric Acid SCHEMBL4523556 0.75 CYP2C19 (0.49) CYP2C19KMT2AALDH1A1POLBPKM
SCHEMBL4065942 0.75 IDO1 (0.56) IDO1TDO2MGAMGAASI
SCHEMBL14376750 0.75 IDO1 (0.35) IDO1TDO2CYP2C19KMT2AMEN1
SCHEMBL4072499 0.74 IDO1 (0.40) IDO1TDO2KMT2AMEN1SMN1; SMN2
SCHEMBL4021049 0.73 KMT2A (0.44) CYP2C19KMT2AMEN1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL30710325 0.73 IDO1 (0.59) IDO1TDO2KMT2AMEN1MGAM
SCHEMBL5772657 0.72 IDO1 (0.52) IDO1TDO2MGAMGAASI
SCHEMBL4069428 0.71 MIF (0.37) IDO1TDO2KMT2AMEN1SMN1; SMN2
SCHEMBL27655405 0.70 IDO1 (0.50) IDO1TDO2MGAMGAASI

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 18 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-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
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-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
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-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 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
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 US disclosed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 US 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
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
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-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 (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 IDO1 4144/4885TDO2 4808/4885CYP2C19 3811/4885
US-20080058349-A1 New Compounds 318 PSEN2, PSEN1, MAPT IDO1 4221/4885TDO2 4819/4885CYP2C19 3918/4885

“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.