SCHEMBL5222411

SCHEMBL5222411

COC(=O)c1cc(C2C=CCCC2)cc(N2CCCC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HPGD P15428 5/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 4/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL5220451 0.94 MEN1 (0.42) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5249254 0.82 NPC1 (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5218640 0.81 MEN1 (0.45) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5249518 0.81 SMN1; SMN2 (0.49) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5218713 0.80 MEN1 (0.41) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5219444 0.79 MEN1 (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL475775 0.79 MEN1 (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5853079 0.77 MEN1 (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5221306 0.76 ALDH1A1 (0.58) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5219191 0.75 CA12 (0.53) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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 5 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
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO 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 MEN1 586/4885KMT2A 300/4885RAB9A 2403/4885

“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.