SCHEMBL5564396

SCHEMBL5564396

COC(=O)c1cccc(-c2cc(C)nc(COC3CCCCO3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.40
PDE4D Q08499 2/20 0.40
PDE4B Q07343 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CDK8 P49336 1/20 0.38
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SYK P43405 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
VDR P11473 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 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
SCHEMBL5562921 0.87 USP30 (0.37) PDE4BMEN1ALDH1A1KMT2AKDM4C
SCHEMBL5564507 0.87 PDE7A (0.41) PDE7APDE4DPDE4BCA12CA1
SCHEMBL6166136 0.83 PDE7A (0.42) PDE7APDE4DPDE4BMEN1ALDH1A1
SCHEMBL6163621 0.83 PDE7A (0.46) PDE7APDE4DPDE4BCPT2CPT1A
SCHEMBL6167181 0.83 PDE7A (0.43) PDE7APDE4DPDE4BMEN1ALDH1A1
SCHEMBL6165227 0.80 PDE4D (0.47) PDE7APDE4DPDE4BALDH1A1L3MBTL1
SCHEMBL6167170 0.80 CPT2 (0.43) PDE7APDE4DPDE4BCPT2CPT1A
SCHEMBL6433928 0.80 CPT2 (0.48) PDE7APDE4DPDE4BCPT2CPT1A
SCHEMBL6167701 0.79 NPC1 (0.44) PDE7APDE4DMEN1ALDH1A1KMT2A
SCHEMBL6162738 0.79 SLC6A9 (0.41) PDE7APDE4DMEN1ALDH1A1KMT2A

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 PDE7A 1789/4885PDE4D 706/4885PDE4B 620/4885

“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.