SCHEMBL464262

SCHEMBL464262

CC(C)(C)OC(=O)NC1CCc2ccc(Br)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.50
MTNR1B P49286 3/20 0.50
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
ACHE P22303 4/20 0.47
HDAC8 Q9BY41 2/20 0.46
EPHX2 P34913 1/20 0.46
DRD2 P14416 4/20 0.45
BTK Q06187 1/20 0.43
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
BACE1 P56817 2/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL4119861 0.95 CA1 (0.47) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL4101120 0.95 CA1 (0.47) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL1338041 0.95 CA1 (0.47) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL1545004 0.89 EPHX2 (0.50) CA1CA2EPHX2DRD2BTK
SCHEMBL1545211 0.89 EPHX2 (0.50) CA1CA2EPHX2DRD2BTK
SCHEMBL1545000 0.89 EPHX2 (0.50) CA1CA2EPHX2DRD2BTK
SCHEMBL29878515 0.89 EPHX2 (0.50) CA1CA2EPHX2DRD2BTK
SCHEMBL5677299 0.86 CA1 (0.64) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9136687 0.86 CA1 (0.64) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL5722246 0.86 CA1 (0.64) MTNR1AMTNR1BCA1CA2ACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP 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
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 1569/4885CA1 2852/4885

“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.