SCHEMBL5557504

SCHEMBL5557504

Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3ccc(C(C)C)nc3)c2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
S1PR3 Q99500 1/20 0.34
CYP17A1 P05093 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL27615907 0.89 RAB9A (0.40) ALDH1A1MAPTMAPK1S1PR3NPC1
SCHEMBL5557947 0.89 AAK1 (0.42) AAK1
SCHEMBL5563231 0.88 CYP17A1 (0.35) AAK1ALDH1A1MAPTMAPK1CYP17A1
SCHEMBL5563312 0.85 KMO (0.40) ALDH1A1CYP17A1NPC1RAB9ASMN1; SMN2
SCHEMBL5562825 0.85 POLB (0.35) AAK1MAPTCYP17A1
SCHEMBL5557499 0.85 AAK1 (0.37) AAK1ALDH1A1MAPTMAPK1CYP17A1
SCHEMBL5562034 0.85 ABL1 (0.39) AAK1ALDH1A1MAPTMAPK1CYP17A1
SCHEMBL5558282 0.85 AAK1 (0.45) AAK1ALDH1A1CYP17A1NPC1RAB9A
SCHEMBL5559224 0.85 AAK1 (0.45) AAK1ALDH1A1CYP17A1NPC1RAB9A
SCHEMBL5561257 0.85 MEN1 (0.41) AAK1ALDH1A1CYP17A1

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 AAK1 2928/4885ALDH1A1 314/4885MAPT 1336/4885

“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.