SCHEMBL442641

SCHEMBL442641

NC(=O)c1c(C(=O)O)ccc2c1CC(Nc1ccccn1)CC2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOS2 P35228 1/20 0.38
SORT1 Q99523 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GRIK1 P39086 1/20 0.36
KDM4A O75164 1/20 0.36
HTT P42858 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL445407 0.89 HDAC8 (0.50) HDAC8HDAC6KDM4EHTR1ADRD2
SCHEMBL447087 0.85 HTR1A (0.38) HDAC8HDAC6HTR1ADRD2MTNR1A
SCHEMBL444360 0.81 HDAC8 (0.58) HDAC8HDAC6
SCHEMBL443905 0.79 HDAC8 (0.56) HDAC8MEN1KMT2ANPC1RAB9A
SCHEMBL443072 0.77 HDAC8 (0.51) HDAC8HDAC6MEN1KMT2ANPC1
SCHEMBL445296 0.77 HDAC8 (0.50) HDAC8HDAC6MEN1KMT2AJAK2
SCHEMBL443158 0.77 HDAC8 (0.60) HDAC8HDAC6
SCHEMBL444174 0.77 HDAC8 (0.57) HDAC8HDAC6
SCHEMBL444654 0.76 HTR1A (0.39) HTR1ADRD2MTNR1AMTNR1B
SCHEMBL443441 0.76 HDAC8 (0.61) HDAC8HDAC6

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 9 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 claimed
EP-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP claimed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US claimed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO claimed
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
EP-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP 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 HDAC8 304/4885HDAC6 41/4885MEN1 339/4885

“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.