SCHEMBL6469005

SCHEMBL6469005

CC(C)(C)OC(=O)Nc1cc(N2CCS(=O)(=O)CC2)c(C(F)(F)F)cc1NC(=O)CC(=O)c1cccc(-n2nncc2COC2CCCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6165170 0.95 POLB (0.33) EP300CREBBPMEN1KMT2A
SCHEMBL6166902 0.95 EP300 (0.32) EP300CREBBPMEN1KMT2A
SCHEMBL6435083 0.93 PLOD2 (0.35) EP300CREBBP
SCHEMBL6433245 0.89 HSD11B1 (0.34) EP300CREBBPMEN1KMT2A
SCHEMBL6433725 0.89 EP300 (0.33) EP300CREBBPMEN1KMT2A
SCHEMBL6433275 0.88 EP300 (0.33) EP300CREBBPMEN1KMT2A
SCHEMBL6433248 0.88 HSD11B1 (0.34) EP300CREBBPMEN1KMT2A
SCHEMBL6622826 0.88 EP300 (0.33) EP300CREBBP
SCHEMBL6621778 0.88 EP300 (0.33) EP300CREBBP
SCHEMBL6166485 0.87 EP300 (0.32) EP300CREBBPMEN1KMT2A

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 3 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
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

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 EP300 2777/4885CREBBP 841/4885MEN1 1315/4885

“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.