SCHEMBL1521050

SCHEMBL1521050

CCN(CC)c1ccc(C(=O)[C@H](C)C=C(C)C=CC(=O)NO)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.76
HDAC3 O15379 6/20 0.76
HDAC4 P56524 6/20 0.76
HDAC7 Q8WUI4 6/20 0.76
HDAC2 Q92769 6/20 0.76
HDAC10 Q969S8 6/20 0.76
HDAC8 Q9BY41 6/20 0.76
HDAC6 Q9UBN7 6/20 0.76
HDAC9 Q9UKV0 6/20 0.76
HDAC5 Q9UQL6 6/20 0.76
HDAC11 Q96DB2 5/20 0.76
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
TLR9 Q9NR96 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
SCHEMBL1521045 1.00 HDAC1 (0.76) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3715218 1.00 HDAC1 (0.76) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1521099 0.91 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1521100 0.91 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1520926 0.89 HDAC1 (0.69) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1520929 0.89 HDAC1 (0.69) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13456909 0.87 HDAC1 (0.71) HDAC1HDAC3HDAC4HDAC7HDAC2
Trichostatin SCHEMBL446806 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
Trichostatin SCHEMBL446807 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
Trichostatin SCHEMBL675951 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2

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
US-20160015693-A1 METHODS AND COMPOUNDS FOR PREVENTING AND TREATING A TUMOUR AGENCY SCIENCE TECH & RES (SG) 2016-01-21 US disclosed
US-8969313-B2 Methods and compounds for preventing and treating a tumour AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-03-03 US disclosed
US-20110053882-A1 METHODS AND COMPOUNDS FOR PREVENTING AND TREATING A TUMOUR AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-03-03 US disclosed
EP-2217240-A1 METHODS AND COMPOUNDS FOR PREVENTING AND TREATING A TUMOUR Agency for Science, Technology And Research (SG) 2010-08-18 EP disclosed
WO-2009058102-A1 METHODS AND COMPOUNDS FOR PREVENTING AND TREATING A TUMOUR AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-05-07 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 (2 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-20110053882-A1 METHODS AND COMPOUNDS FOR PREVENTING AND TREATING A TUMOUR HDAC1, CCAR2, HDAC11 HDAC1 1/4885HDAC3 4/4885HDAC4 24/4885
US-20160015693-A1 METHODS AND COMPOUNDS FOR PREVENTING AND TREATING A TUMOUR HDAC1, HDAC11, CCAR2 HDAC1 1/4885HDAC3 4/4885HDAC4 22/4885

“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.