SCHEMBL823548

SCHEMBL823548

O=C(NCCCCCCNC(=O)c1ccccc1S)c1ccccc1S

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
HTT P42858 3/20 0.58
TSHR P16473 2/20 0.58
NAAA Q02083 1/20 0.57
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
HCRTR1 O43613 1/20 0.53
HPGD P15428 4/20 0.50

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
SCHEMBL11174324 0.92 NAAA (0.70) ALOX5HTTTSHRNAAAHCRTR1
SCHEMBL3624207 0.92 NAAA (0.70) ALOX5HTTTSHRNAAAHCRTR1
SCHEMBL18661175 0.91 ALOX5 (0.50) ALOX5HTTTSHRNAAACA1
SCHEMBL16634790 0.90 TSHR (0.70) ALOX5HTTTSHRNAAACA1
SCHEMBL19979642 0.89 ALOX5 (0.49) ALOX5HTTTSHRNAAACA1
SCHEMBL29444016 0.88 TSHR (0.77) HTTTSHRNAAACA1CA2
SCHEMBL3962346 0.87 LMNA (0.53) ALOX5HTTTSHRNAAAHDAC3
SCHEMBL8980750 0.85 HTT (0.58) HTTTSHRCA1CA2CA9
SCHEMBL3957920 0.85 LMNA (0.55) HTTTSHRNAAACA1CA2
SCHEMBL823655 0.84 HDAC4 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2

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 22 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
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
WO-2012162535-A1 USE OF PHOSPHATASE INHIBITORS OR HISTONE DEACETYLASE INHIBITORS TO TREAT DISEASES CHARACTERIZED BY LOSS OF PROTEIN FUNCTION LIXTE BIOTECHNOLOGY, INC. (US) 2012-11-29 WO 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 (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 ALOX5 2186/4885HTT 3/4885TSHR 2429/4885
US-20160008336-A1 HDAC INHIBITORS FOR THE TREATMENT OF TRAUMATIC BRAIN INJURY HDAC5, HDAC1, HDAC4 ALOX5 4091/4885HTT 2208/4885TSHR 3249/4885
US-20140235649-A1 USE OF PHOSPHATASE INHIBITORS OR HISTONE DEACETYLASE INHIBITORS TO TREAT DISEASES CHARACTERIZED BY LOSS OF PROTEIN FUNCTION HDAC1, PPP3CA, PPM1A ALOX5 4680/4885HTT 558/4885TSHR 4100/4885
US-20090143445-A1 HDAC Inhibitors HDAC3, HDAC7, HDAC4 ALOX5 2923/4885HTT 731/4885TSHR 251/4885

“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.