SCHEMBL2825118

SCHEMBL2825118

NC(=O)[CH]c1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.61
▸ IMPDH2 P12268 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.58
▸ ATM Q13315 1/20 0.58
▸ HPGD P15428 4/20 0.56
▸ HTT P42858 1/20 0.56
▸ MAPT P10636 4/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ CYP1A2 P05177 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ GPR84 Q9NQS5 1/20 0.52
▸ APP P05067 1/20 0.51

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
SCHEMBL9347052 0.86 CYP2A6 (0.54) CYP2A6IMPDH2ALDH1A1ATMHPGD
SCHEMBL5276252 0.84 MAPT (0.68) CYP2A6IMPDH2ALDH1A1ATMHPGD
SCHEMBL5276244 0.84 MAPT (0.68) CYP2A6IMPDH2ALDH1A1ATMHPGD
SCHEMBL30209646 0.84 MAPT (0.68) CYP2A6IMPDH2ALDH1A1ATMHPGD
SCHEMBL787960 0.84 CYP2A6 (0.59) CYP2A6IMPDH2ALDH1A1ATMHPGD
SCHEMBL7773883 0.80 CYP2A6 (0.54) CYP2A6IMPDH2ALDH1A1ATMHPGD
SCHEMBL8739807 0.78 CYP2A6 (0.53) CYP2A6IMPDH2ALDH1A1ATMHPGD
SCHEMBL25001258 0.76 APP (0.58) CYP2A6IMPDH2ALDH1A1ATMHPGD
SCHEMBL15486685 0.76 MEN1 (0.77) CYP2A6IMPDH2ALDH1A1ATMHPGD
SCHEMBL531504 0.76 MEN1 (0.77) CYP2A6IMPDH2ALDH1A1ATMHPGD

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 CYP2A6 1102/4885IMPDH2 1795/4885ALDH1A1 451/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 CYP2A6 158/4885IMPDH2 2419/4885ALDH1A1 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 CYP2A6 3101/4885IMPDH2 2915/4885ALDH1A1 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.

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