SCHEMBL1491606

SCHEMBL1491606

O=C(CCCCCCC(=O)Nc1cccc(CNC(=O)N[C@H](C(=O)O)c2ccccc2)c1)NO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.54
HDAC6 Q9UBN7 13/20 0.54
HDAC8 Q9BY41 13/20 0.54
HDAC3 O15379 11/20 0.54
HDAC11 Q96DB2 10/20 0.54
HDAC2 Q92769 10/20 0.54
HDAC10 Q969S8 10/20 0.54
HDAC5 Q9UQL6 9/20 0.54
HDAC4 P56524 8/20 0.54
HDAC7 Q8WUI4 8/20 0.54
HDAC9 Q9UKV0 8/20 0.54
NCOR2 Q9Y618 3/20 0.52
EGFR P00533 2/20 0.52
KDM4E B2RXH2 1/20 0.52
BRD4 O60885 1/20 0.52
NCOR1 O75376 1/20 0.52
NR1I2 O75469 1/20 0.52
CYP3A4 P08684 1/20 0.52
LTA4H P09960 1/20 0.52
NR0B1 P51843 1/20 0.52

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
SCHEMBL1491608 1.00 HDAC1 (0.54) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL12672727 0.90 HDAC1 (0.53) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL12536057 0.90 HDAC1 (0.52) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL1491710 0.87 HDAC1 (0.58) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL1491713 0.87 HDAC1 (0.58) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL1491599 0.86 HDAC1 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL1491602 0.86 HDAC1 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL1491590 0.85 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL1491592 0.85 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL1491529 0.81 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC3HDAC11

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 18 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-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
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
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
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US 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
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
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US 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
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 1/4885HDAC6 11/4885HDAC8 9/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HDAC1 5/4885HDAC6 557/4885HDAC8 29/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 HDAC1 9/4885HDAC6 1058/4885HDAC8 39/4885

“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.