SCHEMBL415355

SCHEMBL415355

COC(=O)c1cc2c(cc1F)CCC(NC(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
EPHX2 P34913 1/20 0.40
HDAC8 Q9BY41 2/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
ACHE P22303 4/20 0.39
CTSK P43235 2/20 0.38
BTK Q06187 1/20 0.37
DRD2 P14416 3/20 0.37
GAA P10253 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
PARP1 P09874 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
SCHEMBL415357 0.83 EPHX2 (0.42) MTNR1AMTNR1BEPHX2HDAC8CA1
SCHEMBL469843 0.83 HDAC8 (0.47) MTNR1AMTNR1BHDAC8CA1CA2
SCHEMBL415810 0.82 HDAC8 (0.48) MTNR1AMTNR1BHDAC8CA1CA2
SCHEMBL354268 0.79 MTNR1A (0.51) MTNR1AMTNR1BEPHX2HDAC8CA1
SCHEMBL10253259 0.79 MTNR1A (0.51) MTNR1AMTNR1BEPHX2HDAC8CA1
SCHEMBL17478386 0.79 CA1 (0.48) MTNR1AMTNR1BEPHX2HDAC8CA1
SCHEMBL416742 0.76 MAPT (0.47) ACHEDRD2
SCHEMBL469741 0.76 HDAC8 (0.53) HDAC8
SCHEMBL5677299 0.74 CA1 (0.64) MTNR1AMTNR1BEPHX2CA1CA2
SCHEMBL7399411 0.74 CA1 (0.64) MTNR1AMTNR1BEPHX2CA1CA2

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 MTNR1A 2044/4885MTNR1B 1569/4885EPHX2 1145/4885

“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.