SCHEMBL5556296

SCHEMBL5556296

COc1cc(Br)cc2c1OC(C(C)C)C(=O)N(Cc1cccnc1)C2C(=O)Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 3/20 0.40
ALDH1A1 P00352 6/20 0.40
GAA P10253 3/20 0.39
MDM2 Q00987 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL5556292 0.87 MAPT (0.47) MAPTPOLBALDH1A1RXFP1TSHR
SCHEMBL5443009 0.86 MAPK1 (0.38) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL5556327 0.85 ALDH1A1 (0.39) MAPTPOLBALDH1A1GAAMDM2
SCHEMBL5561530 0.85 MDM2 (0.41) TP53MAPTMEN1KMT2APOLB
SCHEMBL5562123 0.85 XIAP (0.35) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL5563002 0.82 POLB (0.48) TP53MAPTMEN1KMT2APOLB
SCHEMBL5561645 0.82 TDP1 (0.43) TP53MAPTMEN1KMT2APOLB
SCHEMBL5556191 0.80 ALDH1A1 (0.43) TP53MAPTMEN1KMT2APOLB
SCHEMBL5556179 0.74 MDM2 (0.43) MEN1KMT2APOLBALDH1A1MDM2
SCHEMBL5556335 0.73 MDM2 (0.39) MEN1KMT2APOLBALDH1A1MDM2

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 TP53 4110/4885MAPT 318/4885MEN1 4394/4885

“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.