SCHEMBL1491592

SCHEMBL1491592

O=C(CCCCCCC(=O)Nc1cccc(CNC(=O)NC(C(=O)OC2CCCC2)c2ccccc2)c1)NO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.46
HDAC6 Q9UBN7 8/20 0.46
HDAC8 Q9BY41 8/20 0.46
HDAC3 O15379 6/20 0.46
HDAC2 Q92769 5/20 0.45
HDAC10 Q969S8 5/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45
HDAC4 P56524 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
ANPEP P15144 2/20 0.44
LTA4H P09960 2/20 0.44
LAP3 P28838 1/20 0.44
NPEPPS P55786 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
NCOR2 Q9Y618 2/20 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
SCHEMBL1491590 1.00 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1491336 0.90 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1491339 0.90 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1491611 0.88 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1491614 0.88 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL12672727 0.87 HDAC1 (0.53) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1491608 0.85 HDAC1 (0.54) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1491606 0.85 HDAC1 (0.54) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1491387 0.85 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1491470 0.85 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC2

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 1/4885HDAC6 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.