SCHEMBL4934071

SCHEMBL4934071

CCCCCCCCN(C(=O)OC(C)(C)C)[C@@H](CCc1nc2ccccc2n1C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.41
RECQL P46063 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
POLB P06746 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL4934077 1.00 HDAC6 (0.47) HDAC6ALDH1A1TSHRMAPTRECQL
SCHEMBL4933079 0.93 HDAC6 (0.50) HDAC6ALDH1A1TSHRMAPTRECQL
SCHEMBL4933087 0.93 HDAC6 (0.50) HDAC6ALDH1A1TSHRMAPTRECQL
SCHEMBL4930387 0.90 HDAC6 (0.42) HDAC6ALDH1A1TSHRMAPTRECQL
SCHEMBL4930392 0.90 HDAC6 (0.42) HDAC6ALDH1A1TSHRMAPTRECQL
SCHEMBL4933262 0.87 HDAC6 (0.40) HDAC6ALDH1A1TSHRMAPTRECQL
SCHEMBL4933259 0.87 HDAC6 (0.40) HDAC6ALDH1A1TSHRMAPTRECQL
SCHEMBL4934136 0.84 MEN1 (0.47) ALDH1A1MAPTRECQLL3MBTL1TP53
SCHEMBL4934130 0.84 MEN1 (0.47) ALDH1A1MAPTRECQLL3MBTL1TP53
SCHEMBL4926824 0.82 HDAC6 (0.45) HDAC6ALDH1A1TSHRMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 US disclosed
EP-1707560-A1 HYDROXAMIC ACID DERIVATIVE AND AGE GENERATION INHIBITOR CONTAINING THE DERIVATIVE Kureha Corporation (JP) 2006-10-04 EP 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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 HDAC6 10/4885ALDH1A1 1829/4885TSHR 4517/4885

“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.