SCHEMBL823581

SCHEMBL823581

CN(C)c1ccc(NC(=O)CCCCCNC(=O)c2ccccc2S)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.59
HDAC1 Q13547 16/20 0.59
HDAC2 Q92769 13/20 0.59
HDAC10 Q969S8 13/20 0.59
HDAC8 Q9BY41 13/20 0.59
HDAC6 Q9UBN7 13/20 0.59
HDAC4 P56524 11/20 0.59
HDAC7 Q8WUI4 11/20 0.59
HDAC11 Q96DB2 11/20 0.59
HDAC9 Q9UKV0 11/20 0.59
HDAC5 Q9UQL6 11/20 0.59
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54

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
SCHEMBL823563 0.87 HDAC4 (0.65) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL823655 0.87 HDAC4 (0.65) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL823555 0.87 HDAC4 (0.65) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL823656 0.87 HDAC4 (0.65) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL823628 0.86 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL823560 0.85 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL3628927 0.84 HDAC1 (0.69) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL827095 0.83 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL18661292 0.81 HDAC3 (0.49) HDAC3HDAC1
SCHEMBL18661173 0.80 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC10HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714924-B1 HDAC Inhibitors for use in the treatment of Gaucher's disease, von Hippel-Lindau disease, phaeochromocytoma and paragangliomas. LIXTE BIOTECHNOLOGY INC (US) 2018-03-21 EP disclosed
EP-2318005-B1 NEUROPROTECTIVE AGENTS FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES LIXTE BIOTECHNOLOGY INC (US) 2017-11-01 EP disclosed
EP-2200439-B1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY INC (US) 2017-03-22 EP disclosed
US-20160008336-A1 HDAC INHIBITORS FOR THE TREATMENT OF TRAUMATIC BRAIN INJURY LIXTE BIOTECHNOLOGY, INC. (US) 2016-01-14 US disclosed
WO-2014137741-A1 HDAC INHIBITORS FOR TREATING TRAUMATIC BRAIN INJURY LIXTE BIOTECHNOLOGY, INC. (US) 2014-09-12 WO disclosed
US-20140235649-A1 USE OF PHOSPHATASE INHIBITORS OR HISTONE DEACETYLASE INHIBITORS TO TREAT DISEASES CHARACTERIZED BY LOSS OF PROTEIN FUNCTION LIXTE BIOTECHNOLOGY, INC. (US) 2014-08-21 US disclosed
US-8455688-B2 HDAC inhibitors LIXTE BIOTECHNOLOGY, INC. (US) 2013-06-04 US disclosed
US-8329719-B2 Neuroprotective agents for the prevention and treatment of neurodegenerative diseases LIXTE BIOTECHNOLOGY, INC. (US) 2012-12-11 US disclosed
US-20120178783-A1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY, INC. 2012-07-12 US disclosed
US-8143445-B2 HDAC inhibitors LIXTE BIOTECHNOLOGY, INC. (US) 2012-03-27 US disclosed
US-8143445-B2 HDAC inhibitors LIXTE BIOTECHNOLOGY, INC. (US) 2012-03-27 US disclosed
US-20110287537-A1 NEUROPROTECTIVE AGENTS FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES LIXTE BIOTECHNOLOGY, INC. 2011-11-24 US disclosed
US-8058268-B2 Neuroprotective agents for the prevention and treatment of neurodegenerative diseases LIXTE BIOTECHNOLOGY, INC. (US) 2011-11-15 US disclosed
US-8058268-B2 Neuroprotective agents for the prevention and treatment of neurodegenerative diseases LIXTE BIOTECHNOLOGY, INC. (US) 2011-11-15 US disclosed
WO-2010014220-A1 NEUROPROTECTIVE AGENTS FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES LIXTE BIOTECHNOLOGY, INC. (US) 2010-02-04 WO disclosed
US-20100029640-A1 Neuroprotective agents for the prevention and treatment of neurodegenerative diseases LIXTE BIOTECHNOLOGY, INC. 2010-02-04 US disclosed
US-20100029640-A1 Neuroprotective agents for the prevention and treatment of neurodegenerative diseases LIXTE BIOTECHNOLOGY, INC. 2010-02-04 US disclosed
US-20090143445-A1 HDAC Inhibitors JOHN P. WHITE, ESQ 2009-06-04 US disclosed
WO-2009045440-A1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY HOLDINGS, INC. (US) 2009-04-09 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 (5 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-20100029640-A1 Neuroprotective agents for the prevention and treatment of neurodegenerative diseases SNCA, NLN, HTT HDAC3 429/4885HDAC1 417/4885HDAC2 765/4885
US-20160008336-A1 HDAC INHIBITORS FOR THE TREATMENT OF TRAUMATIC BRAIN INJURY HDAC5, HDAC1, HDAC4 HDAC3 5/4885HDAC1 2/4885HDAC2 4/4885
US-20120178783-A1 HDAC INHIBITORS HDAC3, HDAC4, HDAC7 HDAC3 1/4885HDAC1 5/4885HDAC2 8/4885
US-20140235649-A1 USE OF PHOSPHATASE INHIBITORS OR HISTONE DEACETYLASE INHIBITORS TO TREAT DISEASES CHARACTERIZED BY LOSS OF PROTEIN FUNCTION HDAC1, PPP3CA, PPM1A HDAC3 36/4885HDAC1 1/4885HDAC2 5/4885
US-20090143445-A1 HDAC Inhibitors HDAC3, HDAC7, HDAC4 HDAC3 1/4885HDAC1 6/4885HDAC2 8/4885

“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.