SCHEMBL6435406

SCHEMBL6435406

CC(C)(C)OC(=O)Nc1cc(N2CCOCC2)c(C(F)(F)F)cc1NC(=O)CC(=O)c1cccc(-n2cnnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.41
PLOD3 O60568 2/20 0.41
PLOD1 Q02809 2/20 0.41
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.36
AKT1 P31749 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL6435023 0.87 PLOD2 (0.41) PLOD2PLOD3PLOD1ALDH1A1SMN1; SMN2
SCHEMBL5564987 0.85 SCN9A (0.41) ALDH1A1SMN1; SMN2GAATSHRTDP1
SCHEMBL6434107 0.84 PLOD2 (0.36) PLOD2PLOD3PLOD1ALDH1A1SMN1; SMN2
SCHEMBL5564112 0.83 POLB (0.45) PLOD2PLOD3PLOD1ALDH1A1SMN1; SMN2
SCHEMBL6436344 0.83 SCN9A (0.41) ALDH1A1SMN1; SMN2GAATDP1TP53
SCHEMBL5562672 0.83 SCN9A (0.43) TSHRTDP1KDM4EHPGD
SCHEMBL6166873 0.83 L3MBTL1 (0.42) ALDH1A1TDP1KMT2AHPGD
SCHEMBL6433297 0.83 SCN9A (0.39) ALDH1A1SMN1; SMN2GAATSHRTDP1
SCHEMBL6435083 0.81 PLOD2 (0.35) PLOD2PLOD3PLOD1ALDH1A1SMN1; SMN2
SCHEMBL6435489 0.80 THRB (0.41) ALDH1A1SMN1; SMN2GAATSHRKMT2A

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 PLOD2 4587/4885PLOD3 4828/4885PLOD1 4446/4885

“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.