SCHEMBL5564484

SCHEMBL5564484

COCCOc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3cc(C)nc(C)c3)c2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL5556740 0.93 AAK1 (0.38) AAK1HTTKDM4EALDH1A1HPGD
SCHEMBL5556741 0.93 AAK1 (0.41) AAK1HPGDKMT2APOLBMEN1
SCHEMBL5563022 0.91 AAK1 (0.45) AAK1HPGDPOLB
SCHEMBL5562747 0.91 AAK1 (0.41) AAK1KMT2APOLBSYK
SCHEMBL5562197 0.89 SCN5A (0.42) HTTSCN5ASCN9A
SCHEMBL5562419 0.86 AAK1 (0.36) AAK1HTTKDM4EKMT2ASCN5A
SCHEMBL5563983 0.86 AAK1 (0.39) AAK1POLBSYK
SCHEMBL5563424 0.86 POLB (0.40) AAK1HPGDPOLBSCN5ASCN9A
SCHEMBL5562692 0.85 AAK1 (0.42) AAK1KMT2APOLBMEN1SYK
SCHEMBL5558167 0.85 ALDH1A1 (0.40) AAK1ALDH1A1KMT2APOLBSCN5A

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-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
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 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-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 AAK1 2928/4885HTT 1773/4885KDM4E 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.