SCHEMBL5555587

SCHEMBL5555587

CC(C)C1Oc2ccc(Br)cc2C(C(=O)Nc2ccccc2)N(CCNc2ccc([N+](=O)[O-])cn2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 3/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.34
DPP4 P27487 1/20 0.34
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL5561150 0.91 SMN1; SMN2 (0.39) MAPTSMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL5561337 0.87 MAPT (0.37) MAPTPAX8SMN1; SMN2POLBNPC1
SCHEMBL5555581 0.87 CCR1 (0.37) MAPTSMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL5555762 0.85 MEN1 (0.36) MAPTSMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL5561148 0.80 TSHR (0.41) MAPTSMN1; SMN2POLBALDH1A1CYP2C19
SCHEMBL5561326 0.78 ALDH1A1 (0.34) NPC1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL5562171 0.78 MAPT (0.37) MAPTSMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL5555944 0.78 MAPT (0.38) MAPTSMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL5562639 0.76 LMNA (0.33) MAPTPAX8SMN1; SMN2NPC1ALDH1A1
SCHEMBL5562092 0.75 LMNA (0.34) MAPTSMN1; SMN2POLBNPC1ALDH1A1

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
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
EP-1631296-A1 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 F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed
WO-2004100958-A1 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 F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO 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 MAPT 318/4885PAX8 4848/4885SMN1; SMN2 2144/4885

“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.