SCHEMBL2823280

SCHEMBL2823280

C[C](C(N)=O)c1cc(F)cc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.52
CES1 P23141 4/20 0.52
PARP1 P09874 1/20 0.42
SLC6A3 Q01959 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
NR1I2 O75469 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
RAB9A P51151 2/20 0.34
GRM5 P41594 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
TTR P02766 1/20 0.33
MAPK10 P53779 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 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
SCHEMBL2432356 0.79 PARP1 (0.66) CES2CES1PARP1RAB9AMAPK10
SCHEMBL2432928 0.77 CES2 (0.52) CES2CES1CA1RAB9ANPC1
SCHEMBL13246756 0.76 CES2 (0.71) CES2CES1PARP1SLC6A3HCAR1
SCHEMBL259315 0.75 CES2 (0.62) CES2CES1PARP1SLC6A3HCAR1
SCHEMBL319123 0.75 CES2 (0.62) CES2CES1PARP1SLC6A3HCAR1
SCHEMBL2828481 0.74 CES2 (0.59) CES2CES1SLC6A3RAB9ANPC1
Acetic Acid SCHEMBL27478470 0.72 CES2 (0.55) CES2CES1SLC6A3HCAR1CA12
SCHEMBL16953124 0.71 PARP1 (0.50) CES2CES1PARP1SLC6A3HCAR1
SCHEMBL7077548 0.70 PARP1 (0.60) CES2CES1PARP1HCAR1HCAR2
Thiourea SCHEMBL28876257 0.70 CES2 (0.54) CES2CES1PARP1SLC6A3HCAR1

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
EP-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 EP disclosed
US-7687640-B2 Cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7667041-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 US disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 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 (3 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-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 CES2 4419/4885CES1 3058/4885PARP1 962/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 CES2 54/4885CES1 106/4885PARP1 935/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 CES2 3234/4885CES1 1036/4885PARP1 251/4885

“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.