SCHEMBL2097659

SCHEMBL2097659

[O]c1ccc(C2CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC1 Q13547 1/20 0.50
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
GALR1 P47211 1/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HSP90AA1 P07900 1/20 0.44
ESR2 Q92731 3/20 0.44
HAO1 Q9UJM8 1/20 0.43
ACMSD Q8TDX5 2/20 0.42
NOTUM Q6P988 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2096234 0.97 HTT (0.48) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL2095015 0.97 HTT (0.48) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL346890 0.97 HTT (0.48) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL2094841 0.95 ESR2 (0.47) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL2094892 0.89 ESR2 (0.46) HDAC8HDAC6HDAC1ESR2NOTUM
SCHEMBL781509 0.86 HDAC1 (0.54) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL6275125 0.83 HDAC8 (0.52) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL5147779 0.83 ESR2 (0.54) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL42782 0.83 HDAC8 (0.52) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL15260520 0.83 HDAC8 (0.52) HDAC8HDAC6HDAC1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084688-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor BARTA THOMAS E 2006-04-20 US claimed
US-6890937-B2 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION (US) 2005-05-10 US claimed
US-6750233-B2 SELECTIVITY PHARMACIA CORPORATION 2004-06-15 US claimed
US-20040048852-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2004-03-11 US claimed
US-20020177588-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2002-11-28 US claimed
JP-2002537378-A 2002-11-05 JP claimed
EP-1230219-A1 AROMATIC SULFONS HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. Searle & Co. (US) 2002-08-14 EP claimed
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR PHARMACIA CORPORATION 2001-11-08 US claimed
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR BARTA THOMAS E (US) 2001-08-16 US claimed
EP-1042290-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-10-11 EP claimed
WO-2000050396-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-31 WO claimed
WO-1999025687-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 1999-05-27 WO claimed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
EP-0023991-B1 STYRYL DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING PAPER IN PARTICULAR BAYER AG (DE) 1983-07-27 EP disclosed
US-4366314-A STYRYL DYE BAYER AKTIENGESELLSCHAFT (DE) 1982-12-28 US disclosed
EP-0037491-A2 Dimethinic dyestuffs, their preparation and their use in dyeing synthetic and natural materials BAYER AG (DE) 1981-10-14 EP disclosed
EP-0023991-A1 Styryl dyestuffs, their preparation and their use in dyeing paper in particular BAYER AG (DE) 1981-02-18 EP 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 HDAC8 1199/4885HDAC6 901/4885HDAC1 280/4885
US-20020177588-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP13, MMP9, MMP10 HDAC8 148/4885HDAC6 193/4885HDAC1 102/4885
US-20060084688-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP13, MMP9, MMP3 HDAC8 210/4885HDAC6 231/4885HDAC1 57/4885
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 HDAC8 148/4885HDAC6 193/4885HDAC1 102/4885
US-20040048852-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP9, MMP1, MMP13 HDAC8 202/4885HDAC6 204/4885HDAC1 49/4885
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 HDAC8 148/4885HDAC6 193/4885HDAC1 102/4885

“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.