SCHEMBL1237600

SCHEMBL1237600

CC(CO)(NC(=O)O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PDE2A O00408 4/20 0.43
KCNN4 O15554 3/20 0.39
GUCY1B2 O75343 4/20 0.39
GUCY1A2 P33402 4/20 0.39
GUCY1A1 Q02108 4/20 0.39
GUCY1B1 Q02153 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL26907235 0.84 CYP3A4 (0.49) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL14830343 0.83 MIF (0.49) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL27677927 0.81 SMN1; SMN2 (0.41) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL26965509 0.79 HTT (0.46) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL25408879 0.74 PDE2A (0.45) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL3447205 0.74 PDE2A (0.45) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL16833799 0.73 GUCY1B2 (0.47) NPC1RAB9AKCNN4GUCY1B2GUCY1A2
SCHEMBL10749410 0.73 CYP1A2 (0.49) KDM4EKMT2AMAPTMAPK1HTT
SCHEMBL15109990 0.73 MEN1 (0.43) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL24015881 0.71 CYP3A4 (0.47) KMT2ASMN1; SMN2MAPTMAPK1HTT

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 KDM4E 3639/4885MEN1 277/4885KMT2A 2264/4885
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 KDM4E 2327/4885MEN1 813/4885KMT2A 1715/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 KDM4E 4007/4885MEN1 458/4885KMT2A 4004/4885
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 KDM4E 3210/4885MEN1 401/4885KMT2A 2454/4885

“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.