SCHEMBL5555762

SCHEMBL5555762

CC(C)C1Oc2ccc(Br)cc2C(C(=O)Nc2ccccc2)N(CCc2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ABCG2 Q9UNQ0 5/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.35
ABCB1 P08183 2/20 0.35
CCR5 P51681 1/20 0.35
MAPT P10636 5/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 2/20 0.33
HTR2A P28223 1/20 0.33
HTR4 Q13639 1/20 0.33

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
SCHEMBL5555754 0.85 EPHX1 (0.42) LMNAALDH1A1MAPTGAA
SCHEMBL5555587 0.85 MAPT (0.37) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL5561326 0.82 ALDH1A1 (0.34) MEN1KMT2AALDH1A1NPC1GAA
SCHEMBL5562639 0.80 LMNA (0.33) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL5555513 0.79 LRRK2 (0.35) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL5562092 0.78 LMNA (0.34) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL5556397 0.78 MAPT (0.39) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL5561530 0.77 MDM2 (0.41) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL5561545 0.76 FAAH (0.41) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL5561491 0.75 ALDH1A1 (0.34) MEN1KMT2ALMNAALDH1A1NPC1

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
EP-1631296-B1 2,3,4,5-TETRAHYDROBENZO¬F|¬1,4|OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2007-04-25 EP disclosed
US-7060698-B2 Benzoxazepinone derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-13 US disclosed
US-20040235819-A1 5-alkylaminocarbonyl-substituted, e.g., 4-(1-benzyl-piperidin-4-yl)-2-isopropyl-3-oxo-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine-5-carboxylic acid tert-butylamide; gamma -secretase inhibitors for the treatment of Alzheimer's disease. HOFFMANN-LA ROCHE INC. 2004-11-25 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-20040235819-A1 5-alkylaminocarbonyl-substituted, e.g., 4-(1-benzyl-piperidin-4-yl)-2-isopropyl-3-oxo-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine-5-carboxylic acid tert-butylamide; gamma -secretase inhibitors for the treatment of Alzheimer's disease. BACE1, BACE2, PSEN1 MEN1 4394/4885KMT2A 1779/4885LMNA 759/4885

“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.