SCHEMBL451125

SCHEMBL451125

Cc1c(C(=O)NO)c(C)c(C(=O)NO)c(C)c1C(=O)NO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.44
HDAC1 Q13547 10/20 0.44
HDAC8 Q9BY41 7/20 0.39
HDAC2 Q92769 4/20 0.39
CA2 P00918 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PTGS1 P23219 1/20 0.37
MMP12 P39900 1/20 0.37
HDAC7 Q8WUI4 4/20 0.36
HDAC3 O15379 3/20 0.36
CA1 P00915 2/20 0.36
CA12 O43570 1/20 0.36
IDO1 P14902 1/20 0.36
ALOX15 P16050 1/20 0.36
CA9 Q16790 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
HDAC4 P56524 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32

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
SCHEMBL11794173 0.79 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC2CA2
SCHEMBL5800687 0.71 TAS1R3 (0.52) HDAC6HDAC1HDAC8HDAC2CA2
SCHEMBL13485818 0.71 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC2KDM4E
SCHEMBL28623178 0.67 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC3HSD17B10
SCHEMBL13701621 0.65 KDM4E (0.47) CA2KDM4ECA1MPOGAA
SCHEMBL25060879 0.63 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC2CA2
SCHEMBL207579 0.62 NOTUM (0.42) CA2KDM4ECA1CA12CA9
SCHEMBL829193 0.62 NOTUM (0.42) CA2KDM4ECA1CA12CA9
SCHEMBL9313956 0.61 CYP3A4 (0.52) HDAC6HDAC1KDM4EPTGS1MPO
SCHEMBL19224096 0.61 TAS1R3 (0.44) CA2KDM4ECA1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 US disclosed
US-8066883-B2 Removing aluminum from solution using chelating compounds and immobilized tethered chelators UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-29 US disclosed
US-20110168636-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-07-14 US disclosed
US-7932326-B2 Chelating compounds and immobilized tethered chelators THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-04-26 US disclosed
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2009-10-22 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 HDAC6 523/4885HDAC1 531/4885HDAC8 124/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 HDAC6 1443/4885HDAC1 991/4885HDAC8 462/4885

“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.