SCHEMBL828798

SCHEMBL828798

COC(=O)c1cc2c(OC)cccc2s1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.76
HDAC4 P56524 2/20 0.76
HDAC1 Q13547 2/20 0.76
HDAC7 Q8WUI4 2/20 0.76
HDAC2 Q92769 2/20 0.76
HDAC10 Q969S8 2/20 0.76
HDAC11 Q96DB2 2/20 0.76
HDAC8 Q9BY41 2/20 0.76
HDAC6 Q9UBN7 2/20 0.76
HDAC9 Q9UKV0 2/20 0.76
HDAC5 Q9UQL6 2/20 0.76
SLC9A1 P19634 2/20 0.64
CA2 P00918 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
F9 P00740 5/20 0.51
PLAU P00749 4/20 0.51
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
F10 P00742 3/20 0.47
RPS6KB1 P23443 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
SCHEMBL2761796 0.89 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL828921 0.87 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18264039 0.85 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL721446 0.83 L3MBTL1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL806489 0.83 SLC9A1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15698911 0.83 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5584284 0.83 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8329863 0.81 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL828439 0.81 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL829725 0.81 SLC9A1 (0.56) 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
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
US-20150289506-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-08 US disclosed
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-08 US disclosed
EP-2926660-A1 METHOD FOR PROMOTING PLANT GROWTH Sumitomo Chemical Company Limited (JP) 2015-10-07 EP disclosed
WO-2014073622-A1 METHOD FOR PROMOTING PLANT GROWTH 住友化学株式会社 (JP) 2014-05-15 WO disclosed
US-8143307-B2 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-27 US disclosed
US-20100004466-A1 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-01-07 US disclosed
EP-1456196-B1 BENZOTHIOPHENES AS ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
EP-1831192-A1 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Korea Research Institute of Chemical Technology (KR) 2007-09-12 EP disclosed
WO-2006071047-A1 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-07-06 WO disclosed
EP-1456196-A1 BENZOTHIOPHENES AS ADENOSINE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP disclosed
US-6730670-B2 FOR PROPHYLAXIS OF ILLNESSES BASED ON MODULATION OF ADENOSINE SYSTEM, SUCH AS ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, NEUROPROTECTION, SCHIZOPHRENIA, ANXIETY, PAIN, RESPIRATION DEFICITS, DEPRESSION, DRUG ADDICTION HOFFMANN-LA ROCHE INC. 2004-05-04 US disclosed
US-20030149030-A1 7-phenyl-benzo [b] thiophen amide derivatives HOFFMANN-LA ROCHE INC. 2003-08-07 US disclosed
WO-2003053954-A1 BENZOTHIOPHENES AS ADENOSINE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-07-03 WO disclosed
WO-2003053954-A1 BENZOTHIOPHENES AS ADENOSINE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-07-03 WO disclosed
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 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 (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-20150289506-A1 METHOD FOR PROMOTING PLANT GROWTH FGF2, BROX, BOLA2; BOLA2B HDAC3 1609/4885HDAC4 878/4885HDAC1 706/4885
US-20100004466-A1 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same TNNI3, TNNT2, SLC9A2 HDAC3 1223/4885HDAC4 650/4885HDAC1 1144/4885
US-20030149030-A1 7-phenyl-benzo [b] thiophen amide derivatives ADORA2A, ADORA2B, ADORA1 HDAC3 2103/4885HDAC4 2507/4885HDAC1 1737/4885
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH BOLA2; BOLA2B, BROX, TET1 HDAC3 1305/4885HDAC4 931/4885HDAC1 516/4885

“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.