SCHEMBL1491469

SCHEMBL1491469

CCOC(=O)C(COC(C)(C)C)NCc1cccc(NC(=O)CCCCCCC(=O)NO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.54
HDAC8 Q9BY41 13/20 0.54
HDAC6 Q9UBN7 12/20 0.54
HDAC3 O15379 12/20 0.54
HDAC2 Q92769 11/20 0.54
HDAC10 Q969S8 11/20 0.54
HDAC11 Q96DB2 8/20 0.54
HDAC5 Q9UQL6 7/20 0.54
HDAC4 P56524 6/20 0.54
HDAC7 Q8WUI4 6/20 0.54
HDAC9 Q9UKV0 6/20 0.54
NCOR2 Q9Y618 3/20 0.50
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
BRD4 O60885 2/20 0.43
KDM4E B2RXH2 1/20 0.42
NCOR1 O75376 1/20 0.42
NR1I2 O75469 1/20 0.42
EGFR P00533 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL1491465 1.00 HDAC1 (0.54) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1491674 0.90 HDAC1 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1491669 0.90 HDAC1 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1491535 0.86 HDAC1 (0.47) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1491533 0.86 HDAC1 (0.47) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1886963 0.86 HDAC1 (0.57) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1886962 0.86 HDAC1 (0.57) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1491333 0.85 HDAC1 (0.56) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1491337 0.85 HDAC1 (0.56) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL14930010 0.82 HDAC8 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC2

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-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (3 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 HDAC1 1/4885HDAC8 9/4885HDAC6 11/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HDAC1 5/4885HDAC8 29/4885HDAC6 557/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 HDAC1 9/4885HDAC8 39/4885HDAC6 1058/4885

“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.