SCHEMBL5561969

SCHEMBL5561969

COc1ccc2c(c1)OC(C(C)C)C(=O)N(CCc1c[nH]c3ccccc13)C2C(=O)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.45
KMT2A Q03164 9/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 5/20 0.44
CDK2 P24941 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5561282 0.91 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL5561821 0.90 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTCDK2
SCHEMBL5561965 0.88 F2 (0.45) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL5561897 0.87 MEN1 (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5556105 0.87 MC4R (0.40) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5562108 0.84 MEN1 (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5556324 0.83 MEN1 (0.46) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5561309 0.81 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5563041 0.79 GAA (0.39) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL5563683 0.79 PTGER3 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E

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 1779/4885ALDH1A1 724/4885

“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.