SCHEMBL5220904

SCHEMBL5220904

CCCN(CCC)C(=O)c1cc(NC(=O)CCCCCl)cc(C(=O)OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 8/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 4/20 0.42
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BLM P54132 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MDH1 P40925 2/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
MAPT P10636 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
SCHEMBL5219577 0.97 KDM4E (0.44) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13598611 0.87 ALDH1A1 (0.52) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL475604 0.83 ALDH1A1 (0.53) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5219530 0.80 HPGD (0.40) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL21998679 0.79 KDM4E (0.55) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21998903 0.79 KDM4E (0.55) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21998921 0.79 KDM4E (0.55) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5223441 0.79 HPGD (0.40) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL5218074 0.77 ALDH1A1 (0.48) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4315477 0.76 KDM4E (0.51) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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 (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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 KDM4E 1129/4885ALDH1A1 3102/4885CYP1A2 2757/4885

“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.