Sugi Predict

Sugi Predict / Compounds / SCHEMBL6166066

SCHEMBL6166066

SCHEMBL6166066

CCCN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3cc(C)no3)c2)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.37
▸ HDAC1 Q13547 8/20 0.37
▸ HDAC3 O15379 6/20 0.37
▸ HDAC2 Q92769 5/20 0.37
▸ HDAC8 Q9BY41 5/20 0.37
▸ HDAC10 Q969S8 5/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ RET P07949 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ PTPRA P18433 1/20 0.31
▸ EGLN2 Q96KS0 1/20 0.31

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
SCHEMBL6164325 0.92 HDAC6 (0.40) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL6163299 0.91 HDAC6 (0.38) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL6164185 0.91 HDAC6 (0.37) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL6165406 0.90 HDAC6 (0.39) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL6166955 0.90 HDAC6 (0.40) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL6165382 0.88 HDAC6 (0.38) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL6163761 0.84 HDAC6 (0.41) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL6167470 0.83 HDAC6 (0.42) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL6167097 0.82 HDAC6 (0.38) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL6166046 0.82 HDAC6 (0.38) HDAC6HDAC1HDAC3HDAC2HDAC8

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-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 — — EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 — — EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 — — US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 — — US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 HDAC6 1812/4885HDAC1 1267/4885HDAC3 785/4885

“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.