SCHEMBL823592

SCHEMBL823592

O=C(CCCCCNC(=O)c1cc(Cl)ccc1S)Nc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 3/20 0.53
POLB P06746 2/20 0.53
KCNMA1 Q12791 1/20 0.51
CDK2 P24941 1/20 0.50
FLT4 P35916 1/20 0.50
CYP11B2 P19099 3/20 0.47
NOTUM Q6P988 1/20 0.47

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
SCHEMBL823597 0.87 HDAC3 (0.57) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL823591 0.86 HDAC3 (0.61) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL18661183 0.83 NAMPT (0.60) MEN1KMT2A
SCHEMBL14987958 0.82 KCNMA1 (0.48) MEN1KMT2ALMNAKCNMA1CDK2
SCHEMBL10280477 0.78 KCNMA1 (0.48) MEN1KMT2ALMNAKCNMA1CYP11B2
SCHEMBL3626901 0.77 HDAC3 (0.64) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL823572 0.77 HDAC3 (0.58) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL5239381 0.77 HDAC1 (0.74) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL15480449 0.76 HDAC3 (0.88) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL823610 0.76 LMNA (0.71) HDAC3HDAC1HDAC4HDAC7HDAC2

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 25 patents — showing the first 20. 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
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-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-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
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 (4 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 417/4885HDAC4 191/4885
US-20160008336-A1 HDAC INHIBITORS FOR THE TREATMENT OF TRAUMATIC BRAIN INJURY HDAC5, HDAC1, HDAC4 HDAC3 5/4885HDAC1 2/4885HDAC4 3/4885
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 1/4885HDAC4 19/4885
US-20090143445-A1 HDAC Inhibitors HDAC3, HDAC7, HDAC4 HDAC3 1/4885HDAC1 6/4885HDAC4 3/4885

“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.