SCHEMBL415357

SCHEMBL415357

CC(C)(C)OC(=O)NC1CCc2cc(F)c(Br)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
AAK1 Q2M2I8 1/20 0.39
CTSK P43235 2/20 0.39
BTK Q06187 1/20 0.39
DRD2 P14416 3/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
ACHE P22303 4/20 0.38
GAA P10253 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL25277811 0.91 EPHX2 (0.46) EPHX2AAK1CTSKBTKDRD2
SCHEMBL415355 0.83 MTNR1A (0.41) EPHX2MTNR1AMTNR1BCTSKBTK
SCHEMBL31730587 0.81 AAK1 (0.39) EPHX2AAK1DRD2CA1CA2
SCHEMBL1338041 0.80 CA1 (0.47) EPHX2MTNR1AMTNR1BAAK1CTSK
SCHEMBL4101120 0.80 CA1 (0.47) EPHX2MTNR1AMTNR1BAAK1CTSK
SCHEMBL464262 0.80 MTNR1A (0.50) EPHX2MTNR1AMTNR1BAAK1BTK
SCHEMBL4119861 0.80 CA1 (0.47) EPHX2MTNR1AMTNR1BAAK1CTSK
SCHEMBL9136687 0.76 CA1 (0.64) EPHX2MTNR1AMTNR1BBTKDRD2
SCHEMBL5677299 0.76 CA1 (0.64) EPHX2MTNR1AMTNR1BBTKDRD2
SCHEMBL13262741 0.76 CA1 (0.48) EPHX2MTNR1AMTNR1BCTSKBTK

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
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS EPHX2 1145/4885MTNR1A 2044/4885MTNR1B 1569/4885

“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.