SCHEMBL1237357

SCHEMBL1237357

COc1cc(C=O)ccc1-n1cncc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
ALDH1A3 P47895 1/20 0.52
TSHR P16473 1/20 0.49
TRIM24 O15164 1/20 0.45
HPGD P15428 1/20 0.45
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
MAPT P10636 3/20 0.44
FDPS P14324 1/20 0.43
AOX1 Q06278 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TTR P02766 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
CYP2A6 P11509 1/20 0.38
ATM Q13315 1/20 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
SCHEMBL1238844 0.85 ALDH1A1 (0.51) ALDH1A1ALDH1A3TSHRTRIM24HPGD
SCHEMBL14670073 0.80 ALDH1A1 (0.48) ALDH1A1ALDH1A3HPGDMAPTKDM4E
SCHEMBL3750278 0.78 NR4A1 (0.58) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL2480440 0.76 HTT (0.49) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL4082746 0.75 ALDH1A1 (0.59) ALDH1A1ALDH1A3TSHRTRIM24HPGD
SCHEMBL4082889 0.73 ALDH1A1 (0.54) ALDH1A1ALDH1A3TSHRTRIM24HPGD
SCHEMBL1239502 0.73 CYP11B1 (0.56) ALDH1A1ALDH1A3TSHRTRIM24HPGD
SCHEMBL4082710 0.72 ALDH1A1 (0.52) ALDH1A1ALDH1A3TSHRTRIM24HPGD
SCHEMBL758550 0.72 PSEN1 (0.57) ALDH1A1ALDH1A3
SCHEMBL29940580 0.72 PSEN1 (0.57) ALDH1A1ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261218-B1 Imidazole compound for use as an intermediate in the production of cinnamide compounds EISAI R&D MAN CO LTD (JP) 2013-04-03 EP disclosed
US-20110086860-A1 COMPOUND KIMURA TEIJI 2011-04-14 US disclosed
US-7923563-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) 2011-04-12 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
EP-1808432-B1 AMORPHOUS FORM OF CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2010-02-24 EP 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-20090203916-A1 Amorphous object of cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
US-20090048448-A1 SALTS OF CYNNAMIDE COMPOUND OR SOLVATES THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-02-19 US disclosed
EP-1953151-A1 SALTS OF CYNNAMIDE COMPOUND OR SOLVATES THEREOF Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
EP-1808432-A1 AMORPHOUS OBJECT OF CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-07-18 EP disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20060241038-A1 Therapeutic agent for Abeta related disorders EISAI CO., LTD. (JP) 2006-10-26 US disclosed
WO-2006112552-A2 THERAPEUTIC AGENTS FOR ABETA RELATED DISORDERS EISAI CO., LTD. (JP) 2006-10-26 WO 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 (7 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 ALDH1A1 149/4885ALDH1A3 1112/4885TSHR 2476/4885
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 ALDH1A1 451/4885ALDH1A3 1638/4885TSHR 4695/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 ALDH1A1 58/4885ALDH1A3 366/4885TSHR 3629/4885
US-20060241038-A1 Therapeutic agent for Abeta related disorders APP, BACE1, PSEN1 ALDH1A1 2978/4885ALDH1A3 3516/4885TSHR 4455/4885
US-20090048448-A1 SALTS OF CYNNAMIDE COMPOUND OR SOLVATES THEREOF APP, BACE1, BACE2 ALDH1A1 2955/4885ALDH1A3 3676/4885TSHR 4635/4885
US-20090203916-A1 Amorphous object of cinnamide compound BACE1, APP, PSEN1 ALDH1A1 442/4885ALDH1A3 2871/4885TSHR 4763/4885
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 ALDH1A1 1375/4885ALDH1A3 3866/4885TSHR 4527/4885

“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.