SCHEMBL5564183

SCHEMBL5564183

COc1ccc(-c2cccc(C(=O)CC(=O)Nc3ccc(OCC(F)(F)F)cc3NC(=O)OC(C)(C)C)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
PLCG1 P19174 2/20 0.36
EGFR P00533 2/20 0.36
FGFR1 P11362 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
KDR P35968 3/20 0.35
KCNH2 Q12809 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
RXRA P19793 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5558002 0.91 EGFR (0.41) MEN1KMT2AKEAP1NFE2L2ERCC5
SCHEMBL5557361 0.90 MAPT (0.42) MEN1KMT2AKEAP1NFE2L2EGFR
SCHEMBL5556985 0.88 AAK1 (0.40) MEN1KMT2AKEAP1NFE2L2EGFR
SCHEMBL5563604 0.88 TEK (0.42) KCNH2SCN5ASCN9ACYP17A1
SCHEMBL5561947 0.88 TEK (0.42) KCNH2SCN5ASCN9ACYP17A1
SCHEMBL5558134 0.86 MEN1 (0.42) MEN1KMT2AKEAP1NFE2L2ERCC5
SCHEMBL5563263 0.86 CYP17A1 (0.44) ERCC5FEN1SCN5ASCN9ARXRA
SCHEMBL5562713 0.86 MEN1 (0.40) MEN1KMT2AKEAP1NFE2L2EGFR
SCHEMBL5557074 0.85 SCN9A (0.41) SCN5ASCN9ANPC1
SCHEMBL5562375 0.81 CACNA1G (0.38) KCNH2

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 MEN1 1739/4885KMT2A 1661/4885KEAP1 657/4885

“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.