Sugi Predict

Sugi Predict / Compounds / SCHEMBL6166386

SCHEMBL6166386

SCHEMBL6166386

CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3ccnn3)c2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 4/20 0.38
▸ APOBEC3A P31941 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ P2RX7 Q99572 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32

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
SCHEMBL6163113 0.91 NOTUM (0.35) NOTUMAPOBEC3ACASP7CASP6APOBEC3G
SCHEMBL6166976 0.91 NOTUM (0.34) NOTUMAPOBEC3ACASP7CASP6APOBEC3G
SCHEMBL6166534 0.90 KAT6A (0.35) APOBEC3ACASP7CASP6APOBEC3GTDP1
SCHEMBL6164712 0.89 L3MBTL1 (0.38) NOTUML3MBTL1
SCHEMBL6437848 0.87 NOTUM (0.43) NOTUML3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL6164798 0.86 RAB9A (0.38) APOBEC3ACASP7CASP6APOBEC3GTDP1
SCHEMBL6163924 0.86 KEAP1 (0.32) NOTUMAPOBEC3AAPOBEC3GL3MBTL1ALDH1A1
SCHEMBL6164626 0.85 PTGES (0.32) NOTUML3MBTL1KMT2ABRD4
SCHEMBL6167089 0.85 KEAP1 (0.32) NOTUMAPOBEC3AAPOBEC3GL3MBTL1ALDH1A1
SCHEMBL6164573 0.85 NOTUM (0.36) NOTUMP2RX7ALDH1A1MAPTMAPK1

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 NOTUM 3530/4885APOBEC3A 4063/4885CASP7 3404/4885

“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.