SCHEMBL5558795

SCHEMBL5558795

CC(C)(C)OC(=O)CC(=O)c1cccc(-c2ncccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.41
ERCC5 P28715 2/20 0.41
FEN1 P39748 2/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP17A1 P05093 1/20 0.37
XPO1 O14980 1/20 0.37
USP30 Q70CQ3 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
VEGFA P15692 1/20 0.36
FLT1 P17948 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
HCRTR1 O43613 1/20 0.36

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
SCHEMBL5562300 0.90 KAT6A (0.44) KAT6AERCC5FEN1ACACBACACA
SCHEMBL5557714 0.85 CYP17A1 (0.48) ERCC5FEN1MAPK1CYP17A1USP30
SCHEMBL5562365 0.85 MKNK1 (0.43) ERCC5FEN1MAPT
SCHEMBL5562546 0.85 AAK1 (0.43) ERCC5FEN1
SCHEMBL5562095 0.85 ABL1 (0.48) ERCC5FEN1ACACBACACA
SCHEMBL6608498 0.84 KDM4E (0.47) KDM4EALDH1A1HCRTR1
SCHEMBL5559626 0.84 ROCK1 (0.41) ERCC5FEN1CLK4ACACBACACA
SCHEMBL5557479 0.83 TDP1 (0.37) ERCC5FEN1ACACBACACAMTNR1A
SCHEMBL5557079 0.83 KMO (0.55) ERCC5FEN1ALDH1A1
SCHEMBL5563427 0.83 ERCC5 (0.39) ERCC5FEN1ACACBACACAMAPK1

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 KAT6A 4005/4885ERCC5 3816/4885FEN1 4333/4885

“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.