SCHEMBL1237285

SCHEMBL1237285

O=Cc1ccc(-n2ccnc2)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.57
CYP2C19 P33261 5/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 4/20 0.57
CYP2D6 P10635 4/20 0.57
LMNA P02545 3/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPK1 P28482 1/20 0.57
PMP22 Q01453 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
KIF11 P52732 1/20 0.40
ADH5 P11766 1/20 0.40
CLK4 Q9HAZ1 2/20 0.38

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
SCHEMBL1239525 0.81 ALDH1A1 (0.50) CYP1A2CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL30899610 0.81 ALDH1A1 (0.50) CYP1A2CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL12017706 0.78 CYP1A2 (0.62) CYP1A2CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL1610383 0.78 CYP11B1 (0.43) CYP1A2CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL29205323 0.78 ALDH1A1 (0.50) CYP1A2CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL994454 0.78 CYP1A2 (0.62) CYP1A2CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL1239874 0.78 ALDH1A3 (0.51) CYP1A2CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL3531980 0.76 ADH5 (0.66) CYP1A2CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL1926341 0.75 ALDH1A1 (0.55) CYP1A2CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL1239502 0.74 CYP11B1 (0.56) CYP1A2CYP2C19ALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086860-A1 COMPOUND KIMURA TEIJI 2011-04-14 US disclosed
US-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 US disclosed
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 (4 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-20110086860-A1 COMPOUND ARRB1, NR3C2, ADRA2C CYP1A2 26/4885CYP2C19 134/4885ALDH1A1 149/4885
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 CYP1A2 1840/4885CYP2C19 3720/4885ALDH1A1 451/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 CYP1A2 68/4885CYP2C19 296/4885ALDH1A1 58/4885
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 CYP1A2 1826/4885CYP2C19 2832/4885ALDH1A1 1375/4885

“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.