SCHEMBL248347

SCHEMBL248347

CC(=O)Nc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
NAMPT P43490 1/20 0.55
HDAC1 Q13547 9/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
F10 P00742 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CYP17A1 P05093 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL13949629 0.87 MEN1 (0.54) NAMPTHDAC1MEN1KMT2AF10
SCHEMBL17472423 0.87 HDAC1 (0.65) CACNA1BAPBA1NAMPTHDAC1F10
SCHEMBL2981566 0.87 CACNA1B (0.49) CACNA1BAPBA1NAMPTHDAC1MEN1
SCHEMBL2829176 0.86 POLB (0.56) NAMPTHDAC1MEN1KMT2AF10
SCHEMBL30091852 0.85 HDAC1 (0.61) CACNA1BAPBA1NAMPTHDAC1F10
SCHEMBL2138082 0.85 HDAC1 (0.61) CACNA1BAPBA1NAMPTHDAC1MEN1
SCHEMBL15551962 0.85 HDAC1 (0.61) CACNA1BAPBA1NAMPTHDAC1F10
SCHEMBL24890579 0.85 NAMPT (0.57) CACNA1BAPBA1NAMPTHDAC1MEN1
SCHEMBL3662421 0.85 F10 (0.53) NAMPTHDAC1MEN1KMT2AF10
SCHEMBL12772560 0.85 NPC1 (0.57) NAMPTHDAC1MEN1KMT2AF10

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4093730-B1 HDAC DEGRADER UNIV LEICESTER (GB) 2024-05-08 EP disclosed
US-20230120211-A1 HDAC Degrader UNIVERSITY OF LEICESTER (GB) 2023-04-20 US disclosed
EP-4093730-A1 HDAC DEGRADER University of Leicester (GB) 2022-11-30 EP disclosed
US-9266822-B2 Solid forms of tacedinaline THE BROAD INSTITUTE, INC. (US) 2016-02-23 US disclosed
US-9266822-B2 Solid forms of tacedinaline THE BROAD INSTITUTE, INC. (US) 2016-02-23 US disclosed
US-8841346-B2 Use of CI-994 and dinaline for the treatment of memory/cognition and anxiety disorders MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-23 US disclosed
US-8841346-B2 Use of CI-994 and dinaline for the treatment of memory/cognition and anxiety disorders MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-23 US disclosed
US-20140275268-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2014-09-18 US disclosed
US-20140275268-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2014-09-18 US disclosed
US-8729130-B2 Methods of using novel solid forms of tacedinaline THE BROAD INSTITUTE, INC. (US) 2014-05-20 US disclosed
US-8563615-B2 Use of CI-994 and dinaline for the treatment of memory/cognition and anxiety disorders MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-22 US disclosed
US-8563615-B2 Use of CI-994 and dinaline for the treatment of memory/cognition and anxiety disorders MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-22 US disclosed
US-20130150450-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2013-06-13 US disclosed
US-20130150450-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2013-06-13 US disclosed
US-20130102677-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2013-04-25 US disclosed
US-20130102677-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2013-04-25 US disclosed
US-20120322879-A1 USE OF CI-994 AND DINALINE FOR THE TREATMENT OF MEMORY/COGNITION AND ANXIETY DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-12-20 US disclosed
WO-2012003413-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2012-01-05 WO disclosed
US-20110224303-A1 USE OF CI-994 AND DINALINE FOR THE TREATMENT OF MEMORY/COGNITION AND ANXIETY DISORDERS MASSACHUSETTS GENERAL HOSPITAL 2011-09-15 US disclosed
WO-2011053876-A1 THE USE OF CI-994 AND DINALINE FOR THE TREATMENT OF MEMORY/COGNITION AND ANXIETY DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-05-05 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 (6 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-20120322879-A1 USE OF CI-994 AND DINALINE FOR THE TREATMENT OF MEMORY/COGNITION AND ANXIETY DISORDERS CHRNA4, SLC6A4, CHRNB4 CACNA1B 260/4885APBA1 1428/4885NAMPT 627/4885
US-20110224303-A1 USE OF CI-994 AND DINALINE FOR THE TREATMENT OF MEMORY/COGNITION AND ANXIETY DISORDERS CHRNA4, SLC6A4, CHRNB4 CACNA1B 260/4885APBA1 1428/4885NAMPT 627/4885
US-20130102677-A1 NOVEL SOLID FORMS OF TACEDINALINE ACSS2, SLC10A1, ACAT2 CACNA1B 2629/4885APBA1 285/4885NAMPT 1469/4885
US-20230120211-A1 HDAC Degrader HDAC1, HDAC11, HDAC3 CACNA1B 4547/4885APBA1 2986/4885NAMPT 1329/4885
US-20130150450-A1 NOVEL SOLID FORMS OF TACEDINALINE ACSS2, SLC10A1, ACAT2 CACNA1B 2629/4885APBA1 285/4885NAMPT 1469/4885
US-20140275268-A1 NOVEL SOLID FORMS OF TACEDINALINE ACSS2, FAM162A, ACAT2 CACNA1B 2338/4885APBA1 170/4885NAMPT 1205/4885

“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.