SCHEMBL6468196

SCHEMBL6468196

CCc1cc(Cl)cnc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
PLAU P00749 1/20 0.34
MYC P01106 1/20 0.34
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 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
SCHEMBL30240874 0.79 HTT (0.33) HTTHSD17B10PLAU
SCHEMBL10289728 0.78 HPGD (0.37) PTGS1PTGS2HPGDHTTHSD17B10
SCHEMBL21914765 0.78 AGBL2 (0.39) NOS3NOS1NOS2
SCHEMBL21737204 0.77 CRHR1 (0.39) PTGS1PTGS2HPGDHTTHSD17B10
SCHEMBL13180337 0.77 NOS3 (0.39) PTGS1PTGS2HPGDHTTHSD17B10
SCHEMBL11967167 0.77 NOS3 (0.39) NOS3NOS1NOS2KMT2APLAU
SCHEMBL13283164 0.76 GRM4 (0.33)
SCHEMBL8214780 0.75 NOS3 (0.34) NOS3NOS1NOS2CHRNB2CHRNA4
SCHEMBL2225270 0.75 NOS3 (0.42) HPGDHTTHSD17B10NOS3NOS1
SCHEMBL14618000 0.75 PLAU (0.37) PTGS1PTGS2HPGDHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20090233930-A9 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors ASTRAZENECA AB (SE) 2008-07-24 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 PTGS1 150/4885PTGS2 193/4885HPGD 781/4885
US-20070299087-A1 New Compounds 319 PSEN2, PSEN1, MAPT PTGS1 2574/4885PTGS2 3107/4885HPGD 1576/4885
US-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors BACE1, BACE2, PSEN1 PTGS1 1948/4885PTGS2 3397/4885HPGD 3623/4885
US-20090233930-A9 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia PSEN2, MAPT, PSEN1 PTGS1 1181/4885PTGS2 1220/4885HPGD 1733/4885
US-20080051420-A1 New Compounds 317 PSEN2, PSEN1, MAPT PTGS1 2431/4885PTGS2 3199/4885HPGD 1473/4885
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia PSEN2, MAPT, PSEN1 PTGS1 1181/4885PTGS2 1220/4885HPGD 1733/4885

“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.