SCHEMBL5558152

SCHEMBL5558152

Cc1ccc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)c(N(C)C)cc3NC(=O)OC(C)(C)C)c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
AAK1 Q2M2I8 3/20 0.36
WNT3A P56704 1/20 0.35
SCN5A Q14524 4/20 0.34
SCN9A Q15858 4/20 0.34
CYP17A1 P05093 2/20 0.34
HPGD P15428 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
CDK8 P49336 1/20 0.34
ABL1 P00519 3/20 0.33
BCR P11274 3/20 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
SCHEMBL5557828 0.91 SCN5A (0.41) POLBSCN5ASCN9ACYP17A1
SCHEMBL5557258 0.90 CDK8 (0.39) POLBAAK1WNT3ASCN5ASCN9A
SCHEMBL27615930 0.90 POLB (0.42) POLBWNT3ASCN5ASCN9ACDK8
SCHEMBL5557956 0.89 WNT3A (0.38) POLBAAK1WNT3ASCN5ASCN9A
SCHEMBL5557099 0.89 POLB (0.38) POLBAAK1CYP17A1HPGDBRD9
SCHEMBL5563492 0.89 ABL1 (0.39) POLBAAK1SCN5ASCN9ACYP17A1
SCHEMBL5562788 0.88 BRD9 (0.38) POLBAAK1SCN5ASCN9AHPGD
SCHEMBL5557320 0.88 CYP17A1 (0.42) POLBAAK1SCN5ASCN9ACYP17A1
SCHEMBL5562699 0.87 SCN5A (0.46) POLBAAK1WNT3ASCN5ASCN9A
SCHEMBL5563764 0.87 ABL1 (0.41) POLBAAK1WNT3ASCN5ASCN9A

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 1609/4885AAK1 2928/4885WNT3A 2088/4885

“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.