SCHEMBL5779339

SCHEMBL5779339

CN(C)C1CCN(c2ccc(C=O)cc2I)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 6/20 0.47
ALDH1A1 P00352 7/20 0.46
ALDH3A1 P30838 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
HTT P42858 1/20 0.33
WEE1 P30291 1/20 0.32
WDR5 P61964 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32

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
SCHEMBL29748966 0.80 KCNH2 (0.39) ALDH1A1MAPTMEN1KMT2AL3MBTL3
SCHEMBL23884703 0.77 MAPT (0.58) ALDH1A3ALDH1A1ALDH3A1SMN1; SMN2MAPT
SCHEMBL249009 0.76 TRIM24 (0.58) ALDH1A1SMN1; SMN2MAPTL3MBTL3TRIM24
SCHEMBL29748887 0.76 LCK (0.43) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL28799317 0.75 TNIK (0.44) ALDH1A1SMN1; SMN2MAPTPDCD1CD274
SCHEMBL29748892 0.74 PDCD1 (0.41) MEN1GAAKMT2AL3MBTL3PIM1
SCHEMBL23048797 0.72 OPRD1 (0.46) L3MBTL3
SCHEMBL2423035 0.72 PIM1 (0.50) MEN1GAAKMT2AL3MBTL3PIM1
SCHEMBL5776815 0.71 ALDH1A3 (0.49) ALDH1A3ALDH1A1ALDH3A1SMN1; SMN2MAPT
SCHEMBL13538106 0.71 PIM1 (0.45) ALDH1A1PIM1PIM3PIM2WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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 (1 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT ALDH1A3 3528/4885ALDH1A1 1541/4885ALDH3A1 1650/4885

“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.