SCHEMBL5557597

SCHEMBL5557597

CC(C)(C)OC(=O)Nc1cc(OCC(F)(F)F)c(Cl)cc1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 15/20 0.41
CNR2 P34972 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
G6PD P11413 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL5562433 0.87 AAK1 (0.46) AAK1KDM4EMEN1USP2ALDH1A1
SCHEMBL5563443 0.86 KDM4E (0.43) AAK1KDM4EALDH1A1THRBL3MBTL1
SCHEMBL5563591 0.82 AAK1 (0.41) AAK1ALDH1A1MAPT
SCHEMBL5558133 0.81 LMNA (0.43) AAK1HSP90AA1HSP90AB1MAPTRXFP1
SCHEMBL3571997 0.80 CA12 (0.41) AAK1HSP90AA1HSP90AB1RXFP1
SCHEMBL6166077 0.79 RXFP1 (0.39) AAK1RXFP1
SCHEMBL5563662 0.79 LMNA (0.43) AAK1HSP90AA1HSP90AB1MAPTRXFP1
SCHEMBL29430822 0.79 LMNA (0.43) AAK1HSP90AA1HSP90AB1MAPTRXFP1
SCHEMBL2353023 0.78 AAK1 (0.40) AAK1HSP90AA1HSP90AB1RXFP1
SCHEMBL5563988 0.78 CYP1A2 (0.45) AAK1KDM4EMEN1ALDH1A1MAPT

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-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 AAK1 2928/4885CNR2 49/4885KDM4E 1160/4885

“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.