SCHEMBL1491528

SCHEMBL1491528

O=C(CCCCCCC(=O)Nc1cccc(OCCCC(=O)N[C@H](C(=O)OC2CCCC2)c2ccccc2)c1)NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 10/20 0.47
HDAC6 Q9UBN7 8/20 0.47
HDAC2 Q92769 8/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
ANPEP P15144 2/20 0.46
LTA4H P09960 2/20 0.46
LAP3 P28838 1/20 0.46
NPEPPS P55786 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
HDAC8 Q9BY41 7/20 0.45
HDAC3 O15379 5/20 0.45
HDAC11 Q96DB2 4/20 0.45
NCOR2 Q9Y618 4/20 0.45
HDAC4 P56524 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45

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
SCHEMBL1491530 1.00 SMN1; SMN2 (0.47) SMN1; SMN2HTTHDAC1HDAC6HDAC2
SCHEMBL1884326 0.91 HDAC1 (0.45) SMN1; SMN2HTTHDAC1HDAC6HDAC2
SCHEMBL1491447 0.91 HDAC1 (0.45) SMN1; SMN2HTTHDAC1HDAC6HDAC2
SCHEMBL12660731 0.89 SMN1; SMN2 (0.44) SMN1; SMN2HTTHDAC1HDAC6HDAC2
SCHEMBL12672876 0.87 CYP3A4 (0.54) SMN1; SMN2HTTHDAC1HDAC6HDAC2
SCHEMBL1491600 0.87 HDAC1 (0.54) SMN1; SMN2HTTHDAC1HDAC6HDAC2
SCHEMBL1491597 0.87 HDAC1 (0.54) SMN1; SMN2HTTHDAC1HDAC6HDAC2
SCHEMBL1491338 0.87 HDAC6 (0.48) SMN1; SMN2HTTHDAC1HDAC6HDAC2
SCHEMBL1491343 0.87 HDAC6 (0.48) SMN1; SMN2HTTHDAC1HDAC6HDAC2
SCHEMBL1491590 0.84 HDAC1 (0.46) HDAC1HDAC6HDAC2MMP2MMP9

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 SMN1; SMN2 3591/4885HTT 3600/4885HDAC1 1/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 SMN1; SMN2 3264/4885HTT 4755/4885HDAC1 5/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 SMN1; SMN2 3848/4885HTT 4861/4885HDAC1 9/4885

“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.