SCHEMBL5557201

SCHEMBL5557201

Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(OC(F)(F)F)ccc3NC(=O)OC(C)(C)C)c2)cc(C)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.39
SIRT2 Q8IXJ6 1/20 0.36
IGF2BP2 Q9Y6M1 1/20 0.36
DHODH Q02127 2/20 0.36
PTGFR P43088 1/20 0.36
WNT3A P56704 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP2C9 P11712 1/20 0.35
IDO1 P14902 1/20 0.35
CCR2 P41597 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
SCHEMBL5557484 0.91 WNT3A (0.43) ABL1WNT3ACYP17A1
SCHEMBL27597153 0.90 ABL1 (0.42) ABL1IGF2BP2DHODHPTGFRWNT3A
SCHEMBL5562657 0.88 ABL1 (0.47) ABL1
SCHEMBL5559202 0.88 CCR2 (0.46) CYP17A1CCR2
SCHEMBL5557578 0.87 ABL1 (0.41) ABL1IGF2BP2
SCHEMBL5562308 0.85 MEN1 (0.37) CYP17A1
SCHEMBL5558002 0.85 EGFR (0.41) ABL1
SCHEMBL5563424 0.83 POLB (0.40) CYP17A1
SCHEMBL5558136 0.83 ABL1 (0.39) ABL1IGF2BP2DHODHWNT3A
SCHEMBL5557411 0.82 ALDH1A1 (0.40) ABL1

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 1860/4885SIRT2 1041/4885IGF2BP2 4817/4885

“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.