SCHEMBL6437647

SCHEMBL6437647

COC(=O)c1coc(-c2cccc(C(=O)Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.48
HDAC8 Q9BY41 6/20 0.48
HDAC6 Q9UBN7 6/20 0.48
PDE4B Q07343 6/20 0.45
ROCK2 O75116 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CDK8 P49336 1/20 0.40
PLAU P00749 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL6438024 0.88 HDAC1 (0.52) HDAC1HDAC8HDAC6PDE4BROCK2
SCHEMBL1544536 0.84 HDAC1 (0.50) HDAC1HDAC8HDAC6PDE4BALDH1A1
SCHEMBL6433569 0.84 HDAC1 (0.48) HDAC1HDAC8HDAC6PDE4BROCK2
SCHEMBL12377852 0.83 HDAC1 (0.51) HDAC1HDAC8HDAC6PDE4BROCK2
SCHEMBL3912093 0.82 HDAC1 (0.50) HDAC1HDAC8HDAC6PDE4BROCK2
SCHEMBL12522679 0.82 HDAC1 (0.53) HDAC1HDAC8HDAC6PDE4BROCK2
SCHEMBL6386434 0.81 HDAC1 (0.65) HDAC1HDAC8HDAC6PDE4BALDH1A1
SCHEMBL6439245 0.80 HDAC1 (0.42) HDAC1HDAC8HDAC6PDE4BROCK2
SCHEMBL27137907 0.77 NPC1 (0.50) PDE4BNPC1RAB9ACDK8PLAU
SCHEMBL27539135 0.77 LMNA (0.40) HDAC1HDAC8HDAC6PDE4BALDH1A1

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-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
EP-1379522-A1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002083665-A1 DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 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-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 HDAC1 910/4885HDAC8 2766/4885HDAC6 1430/4885

“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.