SCHEMBL6356730

SCHEMBL6356730

NCC(=O)NC(CCCCN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.53
HDAC7 Q8WUI4 7/20 0.53
HDAC8 Q9BY41 4/20 0.50
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
RRM1 P23921 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 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
SCHEMBL14330331 0.88 HDAC1 (0.53) HDAC1HDAC7HDAC8HDAC3HDAC4
SCHEMBL28635372 0.82 PTGS1 (0.45) SMN1; SMN2HPGDMAPTRAB9A
SCHEMBL23983021 0.82 PTGS1 (0.45) SMN1; SMN2HPGDMAPTRAB9A
SCHEMBL14206956 0.80 SLC15A2 (0.39) HDAC1HDAC7SMN1; SMN2MAPTKMT2A
SCHEMBL12087999 0.79 CYP3A4 (0.53) HDAC1HDAC7TDP1L3MBTL1RAB9A
SCHEMBL31649040 0.79 ALDH1A1 (0.52) HDAC1HDAC7HDAC4MMP2MMP3
SCHEMBL14417310 0.79 HDAC7 (0.53) HDAC1HDAC7HDAC8HDAC3HDAC4
SCHEMBL6358058 0.78 RRM1 (0.47) HDAC1HDAC7HDAC8HDAC3HDAC4
SCHEMBL12088102 0.78 SIRT2 (0.53) HDAC1HDAC7HDAC8HDAC3HDAC4
SCHEMBL28624192 0.78 GNPAT (0.52)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729258-B2 Luminescent macrocyclic lanthanide complexes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-20 US disclosed
US-8729258-B2 Luminescent macrocyclic lanthanide complexes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-20 US disclosed
US-20120329174-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-27 US disclosed
US-20120329174-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-27 US disclosed
US-8173800-B2 Hydroxy-isophthalamide moieties; antibodies; high stability, luminescence; kits THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-08 US disclosed
US-8173800-B2 Hydroxy-isophthalamide moieties; antibodies; high stability, luminescence; kits THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-08 US disclosed
US-20080213917-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-04 US disclosed
US-20080213917-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-04 US 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-20080213917-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES SSB, HACD3, CLTA HDAC1 2443/4885HDAC7 3523/4885HDAC8 3060/4885
US-20120329174-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES SSB, HACD3, CLTA HDAC1 2443/4885HDAC7 3523/4885HDAC8 3060/4885

“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.