SCHEMBL444974

SCHEMBL444974

CN(c1nccc(-c2cccnc2)n1)C1CCc2ccc(C(=O)O)c(C(N)=O)c2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.59
HDAC6 Q9UBN7 4/20 0.59
GBA1 P04062 3/20 0.40
HDAC1 Q13547 2/20 0.39
MCHR1 Q99705 2/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PTK2 Q05397 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
SRC P12931 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
SCHEMBL447007 0.80 HDAC8 (0.59) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL415345 0.74 HDAC8 (1.00) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL15899654 0.72 HDAC8 (0.74) HDAC8HDAC6GBA1HDAC1MCHR1
SCHEMBL444360 0.72 HDAC8 (0.58) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL444699 0.71 HDAC8 (0.64) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL447618 0.70 HDAC8 (0.60) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL446520 0.70 HDAC8 (0.62) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL442902 0.68 HDAC8 (0.64) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL444068 0.68 HDAC8 (0.59) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL443034 0.67 HDAC8 (0.62) HDAC8HDAC6HDAC1HDAC7HDAC9

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 304/4885HDAC6 41/4885GBA1 87/4885

“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.