SCHEMBL5558149

SCHEMBL5558149

CCOc1ccc(NC(=O)CC(=O)c2cccc(-c3ccnc(C)c3)c2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 3/20 0.41
AAK1 Q2M2I8 2/20 0.40
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
WNT3A P56704 4/20 0.37
TTK P33981 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5562172 0.92 CYP17A1 (0.44) AAK1MAPTNPSR1
SCHEMBL5557484 0.90 WNT3A (0.43) PORCNAAK1PSEN1PSEN2APH1B
SCHEMBL5558241 0.89 CYP19A1 (0.44) PORCNMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5558357 0.88 AAK1 (0.43) PORCNAAK1PSEN1PSEN2APH1B
SCHEMBL5561945 0.88 WNT3A (0.46) PORCNAAK1WNT3A
SCHEMBL5557454 0.86 AAK1 (0.47) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL5563428 0.86 MEN1 (0.44) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL5559816 0.85 GRM2 (0.46) AAK1WNT3A
SCHEMBL5558212 0.84 WNT3A (0.39) PORCNAAK1PSEN1PSEN2APH1B
SCHEMBL5558282 0.84 AAK1 (0.45) PORCNAAK1PSEN1PSEN2APH1B

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 PORCN 4735/4885AAK1 2928/4885PSEN1 294/4885

“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.