SCHEMBL444917

SCHEMBL444917

NC(=O)N1CC(NC(=O)c2cccc(C(F)(F)F)c2)Cc2cc(C(=O)O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.52
RPS6KB1 P23443 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CCR2 P41597 3/20 0.44
KCNH2 Q12809 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PAK1 Q13153 1/20 0.43
SRD5A2 P31213 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
LMNA P02545 2/20 0.43
KIF11 P52732 1/20 0.42
SCN9A Q15858 1/20 0.41
DRD4 P21917 2/20 0.41
ERAP1 Q9NZ08 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PHGDH O43175 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
SCHEMBL447665 0.85 HDAC8 (0.54) HDAC8MEN1KMT2ALMNAERAP1
SCHEMBL445402 0.85 HDAC8 (0.50) HDAC8MEN1KMT2AL3MBTL1NPC1
SCHEMBL443999 0.82 HDAC8 (0.52) HDAC8MEN1KMT2ALMNANPC1
SCHEMBL444289 0.81 MEN1 (0.50) HDAC8MEN1KMT2ADRD4NPC1
SCHEMBL441672 0.81 HDAC8 (0.48) HDAC8MEN1KMT2ASRD5A2TAS1R3
SCHEMBL445526 0.80 CA12 (0.47) HDAC8MEN1KMT2ASRD5A2LMNA
SCHEMBL443233 0.74 HDAC8 (0.52) HDAC8MEN1KMT2ALMNA
SCHEMBL444884 0.73 HDAC8 (0.55) HDAC8LMNAERAP1
SCHEMBL443508 0.72 HDAC8 (0.52) HDAC8
SCHEMBL2472548 0.72 MEN1 (0.70) HDAC8MEN1KMT2ACCR2L3MBTL1

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 10 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 claimed
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 304/4885RPS6KB1 2530/4885MEN1 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.