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Sugi Predict / Compounds / SCHEMBL6162966

SCHEMBL6162966

SCHEMBL6162966

CC(C)(C)OC(=O)Nc1cc(NCC2CC2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ PTGER4 P35408 1/20 0.38
▸ ACACB O00763 2/20 0.37
▸ ACACA Q13085 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ BCL2 P10415 2/20 0.35

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
SCHEMBL5557085 0.85 LIPC (0.37) L3MBTL1MAPTACACBMAPK1MEN1
SCHEMBL6641223 0.83 L3MBTL1 (0.44) L3MBTL1MAPTPTGER4MAPK1MEN1
SCHEMBL5562505 0.83 MAPT (0.39) L3MBTL1MAPTMAPK1MEN1KMT2A
SCHEMBL6165854 0.82 PTGER4 (0.44) PTGER4ACACBACACADRD2PDK1
SCHEMBL5562912 0.81 NPC1 (0.41) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL1725197 0.79 ALDH1A1 (0.42) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL6166084 0.79 HCAR3 (0.44) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL5563257 0.78 RECQL (0.43) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL5556908 0.77 RAB9A (0.38) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL6168599 0.76 SMN1; SMN2 (0.37) L3MBTL1MAPTMAPK1MEN1KMT2A

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 L3MBTL1 2727/4885MAPT 1155/4885PTGER4 729/4885

“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.