SCHEMBL1003485

SCHEMBL1003485

COC(=O)c1ccc(Cn2c3c(c4ccccc42)CCN(C)C3)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.77
HDAC1 Q13547 7/20 0.77
HDAC8 Q9BY41 3/20 0.77
HDAC2 Q92769 3/20 0.77
HDAC3 O15379 2/20 0.77
HDAC10 Q969S8 2/20 0.77
NCOR2 Q9Y618 2/20 0.77
HDAC4 P56524 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
CHRM2 P08172 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD1 P21728 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57

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
SCHEMBL12804583 0.92 HDAC6 (0.77) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL12938910 0.91 HDAC6 (0.73) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL12938922 0.88 HDAC6 (0.78) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL1052951 0.87 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL20960968 0.87 HDAC6 (0.77) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL28688118 0.86
SCHEMBL28669528 0.85
SCHEMBL6338023 0.84
SCHEMBL28688326 0.83
SCHEMBL28689650 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456757-B1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV ILLINOIS (US) 2019-05-01 EP disclosed
US-8748451-B2 HDAC inhibitors and therapeutic methods of using same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-06-10 US disclosed
US-8748451-B2 HDAC inhibitors and therapeutic methods of using same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-06-10 US disclosed
US-20130281484-A1 HDAC Inhibitors and Therapeutic Methods of Using Same UNIV ILLINOIS (US) 2013-10-24 US disclosed
US-20130281484-A1 HDAC Inhibitors and Therapeutic Methods of Using Same UNIV ILLINOIS (US) 2013-10-24 US disclosed
US-8431538-B2 HDAC inhibitors and therapeutic methods of using same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-04-30 US disclosed
US-8431538-B2 HDAC inhibitors and therapeutic methods of using same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-04-30 US disclosed
US-20120252740-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS OF USING SAME KOZIKOWSKI ALAN (US) 2012-10-04 US disclosed
US-20120252740-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS OF USING SAME KOZIKOWSKI ALAN (US) 2012-10-04 US disclosed
EP-2456757-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Board of Trustees of the University of Illinois (US) 2012-05-30 EP disclosed
WO-2011011186-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-01-27 WO disclosed
WO-2011011186-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-01-27 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 (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-20120252740-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS OF USING SAME HDAC1, HDAC9, HDAC5 HDAC6 7/4885HDAC1 1/4885HDAC8 5/4885
US-20130281484-A1 HDAC Inhibitors and Therapeutic Methods of Using Same HDAC1, HDAC9, HDAC5 HDAC6 7/4885HDAC1 1/4885HDAC8 5/4885

“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.