SCHEMBL464149

SCHEMBL464149

COC(=O)c1ccc2c(c1)CC(NCl)CC2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
HDAC8 Q9BY41 11/20 0.48
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
ACHE P22303 4/20 0.47
HDAC6 Q9UBN7 4/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL469781 0.87 MTNR1A (0.51) MTNR1AMTNR1BHDAC8CA1CA2
SCHEMBL354927 0.82 MTNR1A (0.52) MTNR1AMTNR1BHDAC8CA1CA2
SCHEMBL15906487 0.82 HDAC8 (0.57) MTNR1AMTNR1BHDAC8CA1CA2
SCHEMBL10247141 0.81 KMT2A (0.54) MTNR1AMTNR1BHDAC8CA1CA2
SCHEMBL10247157 0.81 KMT2A (0.54) MTNR1AMTNR1BHDAC8CA1CA2
SCHEMBL355731 0.81 CHRNB2 (0.44) MTNR1AMTNR1BHDAC8CA1CA2
SCHEMBL10283634 0.81 DRD3 (0.45) MTNR1AMTNR1BHDAC8CA1CA2
SCHEMBL354268 0.81 MTNR1A (0.51) MTNR1AMTNR1BHDAC8CA1CA2
SCHEMBL10253259 0.81 MTNR1A (0.51) MTNR1AMTNR1BHDAC8CA1CA2
SCHEMBL355191 0.80 HDAC8 (0.59) MTNR1AMTNR1BHDAC8CA1CA2

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
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
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 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 1569/4885HDAC8 304/4885

“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.