SCHEMBL5557263

SCHEMBL5557263

CC(C)(C)OC(=O)Nc1cc(Cl)c(C(F)(F)F)cc1NC(=O)CC(=O)c1cccc(-c2cncnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.41
BCR P11274 4/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN5A Q14524 3/20 0.39
SCN9A Q15858 3/20 0.39
POLB P06746 1/20 0.39
CSF1R P07333 2/20 0.38
KIT P10721 2/20 0.38
AAK1 Q2M2I8 1/20 0.36
CYP17A1 P05093 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
SCHEMBL5558343 1.00 ABL1 (0.41) ABL1BCRMEN1ALDH1A1KMT2A
SCHEMBL5561272 0.92 SCN5A (0.46) ABL1BCRMEN1ALDH1A1KMT2A
SCHEMBL5557386 0.92 SCN5A (0.46) ABL1BCRMEN1ALDH1A1KMT2A
SCHEMBL5557843 0.90 CSF1R (0.41) ABL1SCN5ASCN9APOLBCSF1R
SCHEMBL5557289 0.90 CSF1R (0.41) ABL1SCN5ASCN9APOLBCSF1R
SCHEMBL5559923 0.90 CYP17A1 (0.44) ABL1BCRMEN1ALDH1A1KMT2A
SCHEMBL5564494 0.90 CYP17A1 (0.44) ABL1BCRMEN1ALDH1A1KMT2A
SCHEMBL5558167 0.89 ALDH1A1 (0.40) ABL1BCRMEN1ALDH1A1KMT2A
SCHEMBL5557411 0.89 ALDH1A1 (0.40) ABL1BCRMEN1ALDH1A1KMT2A
SCHEMBL5562034 0.89 ABL1 (0.39) ABL1MEN1ALDH1A1KMT2ACSF1R

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 ABL1 1860/4885BCR 2127/4885MEN1 1739/4885

“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.