SCHEMBL1239487

SCHEMBL1239487

O=C(C=Cc1ccc(-n2ccnc2)cc1)NC1CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
TAOK1 Q7L7X3 1/20 0.55
TAOK3 Q9H2K8 1/20 0.55
MAOB P27338 3/20 0.48
ESR1 P03372 1/20 0.44
MLLT1 Q03111 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HDAC4 P56524 1/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
P2RX7 Q99572 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1239485 1.00 SMN1; SMN2 (0.57) SMN1; SMN2TAOK1TAOK3MAOBESR1
SCHEMBL12712224 0.86 SMN1; SMN2 (0.50) SMN1; SMN2TAOK1TAOK3MAOBTAS1R3
SCHEMBL1238719 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TAOK1TAOK3P2RX7ROCK2
SCHEMBL1238769 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TAOK1TAOK3P2RX7ROCK2
SCHEMBL1240047 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TAOK1TAOK3P2RX7TAS1R3
SCHEMBL1238717 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TAOK1TAOK3P2RX7ROCK2
SCHEMBL14870575 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TAOK1TAOK3MAOBTAS1R3
SCHEMBL1240045 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TAOK1TAOK3P2RX7TAS1R3
SCHEMBL1238767 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TAOK1TAOK3P2RX7ROCK2
SCHEMBL1237563 0.84 SMN1; SMN2 (0.48) SMN1; SMN2TAOK1TAOK3P2RX7ROCK2

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 SMN1; SMN2 1928/4885TAOK1 677/4885TAOK3 1393/4885
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 SMN1; SMN2 82/4885TAOK1 2070/4885TAOK3 3590/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 SMN1; SMN2 2370/4885TAOK1 2929/4885TAOK3 3194/4885
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 SMN1; SMN2 235/4885TAOK1 4282/4885TAOK3 4577/4885

“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.