SCHEMBL6167325

SCHEMBL6167325

O=C(O)c1cccc(-n2nccc2COC2CCCCO2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CREBBP Q92793 2/20 0.44
EP300 Q09472 1/20 0.44
PTGER1 P34995 2/20 0.43
KMO O15229 1/20 0.39
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DHODH Q02127 1/20 0.37
KDM4C Q9H3R0 5/20 0.37
KDM5A P29375 4/20 0.37
KDM5B Q9UGL1 3/20 0.37
KDM2B Q8NHM5 1/20 0.36
DUSP22 Q9NRW4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL6165840 0.90 EP300 (0.40) MEN1KMT2ACREBBPEP300ALDH1A1
SCHEMBL6164758 0.85 CREBBP (0.37) MEN1KMT2ACREBBPEP300PTGER1
SCHEMBL6622927 0.78 HSD11B1 (0.42) MEN1KMT2ACREBBPEP300HSD11B1
SCHEMBL4505041 0.77 MEN1 (0.54) MEN1KMT2ACREBBPEP300ALDH1A1
SCHEMBL6635699 0.77 CREBBP (0.35) KMT2ACREBBPEP300HSD11B1L3MBTL1
SCHEMBL6167484 0.77 HSD11B1 (0.43) CREBBPEP300HSD11B1ALDH1A1GAA
SCHEMBL6165266 0.75 GAA (0.40) MEN1KMT2ACREBBPEP300ALDH1A1
SCHEMBL6165357 0.73 HSD11B1 (0.40) MEN1KMT2ACREBBPEP300HSD11B1
SCHEMBL6167571 0.72 MEN1 (0.49) MEN1KMT2ACREBBPEP300KDM4C
SCHEMBL6611947 0.72 MLLT3 (0.45) MEN1KMT2ACREBBPEP300HSD11B1

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 MEN1 1887/4885KMT2A 1244/4885CREBBP 970/4885

“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.