SCHEMBL5557772

SCHEMBL5557772

CCCc1cc(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 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
CCR2 P41597 1/20 0.37
AAK1 Q2M2I8 4/20 0.36
HDAC3 O15379 4/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
CNR2 P34972 1/20 0.33
SREBF2 Q12772 1/20 0.33
LMNA P02545 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL5557123 0.94 POLB (0.39) POLBCCR2AAK1HDAC3HDAC1
SCHEMBL5563654 0.92 WNT3A (0.38) POLBAAK1SREBF2
SCHEMBL5557180 0.89 SCN5A (0.41) POLB
SCHEMBL5563424 0.88 POLB (0.40) POLBAAK1HDAC3HDAC1HDAC2
SCHEMBL5558167 0.87 ALDH1A1 (0.40) POLBAAK1HDAC3HDAC1HDAC2
SCHEMBL5557411 0.87 ALDH1A1 (0.40) POLBAAK1HDAC3HDAC1HDAC2
SCHEMBL5556741 0.87 AAK1 (0.41) POLBCCR2AAK1
SCHEMBL5562747 0.87 AAK1 (0.41) POLBAAK1LMNA
SCHEMBL5557099 0.86 POLB (0.38) POLBCCR2AAK1HDAC3HDAC1
SCHEMBL5564406 0.86 WNT3A (0.39) POLBAAK1

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 POLB 1609/4885CCR2 2652/4885AAK1 2928/4885

“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.