SCHEMBL2647581

SCHEMBL2647581

COC(=O)c1ccc(CNc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.77
CA2 P00918 4/20 0.77
FFAR1 O14842 1/20 0.60
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
PPARA Q07869 2/20 0.50
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 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
SCHEMBL13934091 0.88 CA1 (0.87) CA1CA2POLBLMNAHPGD
SCHEMBL2643145 0.87 CA1 (1.00) CA1CA2LMNAHPGDHDAC3
SCHEMBL2648713 0.84 HDAC1 (0.68) CA1CA2POLBLMNAHPGD
SCHEMBL26983182 0.84 CA1 (0.67) CA1CA2FFAR1POLBLMNA
SCHEMBL15761767 0.84 NTRK1 (0.59) CA1CA2FFAR1POLBLMNA
SCHEMBL29879798 0.84 NTRK1 (0.59) CA1CA2FFAR1POLBLMNA
SCHEMBL20236549 0.84 FFAR1 (0.69) CA1CA2FFAR1PPARAHDAC3
SCHEMBL11242935 0.84 CA1 (0.75) CA1CA2POLBLMNAHPGD
SCHEMBL15761719 0.84 CA1 (0.75) CA1CA2POLBLMNAHPGD
SCHEMBL17308747 0.83 CA1 (0.55) CA1CA2FFAR1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331864-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2021-11-03 EP disclosed
CN-108137518-B 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2021-08-31 CN disclosed
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-07-21 US disclosed
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-07-21 US disclosed
EP-3331864-A2 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-06-13 EP disclosed
CN-108137518-A As 6 inhibitor of histone deacetylase 1,3,4- oxadiazole derivatives compound and include its pharmaceutical composition 株式会社钟根堂 2018-06-08 CN disclosed
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 US disclosed
EP-2991982-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2016-03-09 EP disclosed
WO-2014178606-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-11-06 WO disclosed
WO-2014178606-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-11-06 WO disclosed
US-20050256175-A1 Novel glucagon antagonists/inverse agonists LAU JESPER 2005-11-17 US disclosed
US-6881746-B2 Glucagon antagonists/inverse agonists NOVO NORDICK A/S (DK) 2005-04-19 US disclosed
EP-1519723-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2005-04-06 EP disclosed
US-20040014789-A1 Novel glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2004-01-22 US disclosed
WO-2004002480-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2004-01-08 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-20040014789-A1 Novel glucagon antagonists/inverse agonists GLP1R, GCGR, GIPR CA1 4178/4885CA2 3299/4885FFAR1 137/4885
US-20050256175-A1 Novel glucagon antagonists/inverse agonists GLP1R, GCGR, GIPR CA1 4178/4885CA2 3299/4885FFAR1 137/4885
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 CA1 689/4885CA2 2175/4885FFAR1 2516/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 CA1 689/4885CA2 2175/4885FFAR1 2516/4885
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same HDAC1, HDAC5, HDAC2 CA1 2283/4885CA2 1755/4885FFAR1 1733/4885

“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.