SCHEMBL1641006

SCHEMBL1641006

Nc1ccc(-c2ccccc2)cc1NC(=O)c1cc2ccc(N3CCC4(CCNC4)CC3)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 12/20 0.61
HDAC1 Q13547 11/20 0.61
KCNH2 Q12809 8/20 0.61
HDAC3 O15379 7/20 0.58

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
SCHEMBL1640180 0.84 HDAC1 (0.76) HDAC2HDAC1KCNH2HDAC3
SCHEMBL1639411 0.76 HDAC1 (1.00) HDAC2HDAC1KCNH2HDAC3
SCHEMBL13811527 0.74 HDAC1 (0.59) HDAC2HDAC1KCNH2HDAC3
SCHEMBL1639718 0.74 HDAC1 (1.00) HDAC2HDAC1KCNH2HDAC3
SCHEMBL13811465 0.73 HDAC1 (0.90) HDAC2HDAC1KCNH2HDAC3
SCHEMBL20176431 0.71 HDAC2 (1.00) HDAC2HDAC1KCNH2HDAC3
SCHEMBL4578619 0.71 KCNH2 (0.73) HDAC2HDAC1KCNH2HDAC3
SCHEMBL20176422 0.70 HDAC2 (1.00) HDAC2HDAC1KCNH2HDAC3
SCHEMBL4761565 0.69 HDAC1 (0.53) HDAC2HDAC1KCNH2HDAC3
SCHEMBL19230849 0.69 KCNH2 (1.00) HDAC2HDAC1KCNH2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US claimed
US-7834026-B2 histone deacetylase inhibitors; antiproliferative; antineoplastic; thioredoxin (TRX)-mediated diseases such as autoimmune, allergy, inflammatory diseases; and neurodegenerative diseases; N-(2-Aminophenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)nicotinamide; hydroxamic acid moiety MERCK SHARP & DOHME CORP. (US) 2010-11-16 US claimed
US-20090209566-A1 Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-08-20 US claimed
EP-1954698-B1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO INC (US) 2009-06-24 EP claimed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 US claimed
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-8349825-B2 Spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
US-8349825-B2 Spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
US-8349825-B2 Spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
US-20110098268-A1 SPIROCYCLIC COMPOUNDS MERCK & CO., INC (US) 2011-04-28 US disclosed
US-7544695-B2 Spirocyclic compounds MERCK & CO., INC. (US) 2009-06-09 US disclosed
EP-1954698-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007061978-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007061880-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007061880-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 US disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 US disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 US 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-20110098268-A1 SPIROCYCLIC COMPOUNDS BRDT, TXNRD3, HDAC1 HDAC2 8/4885HDAC1 3/4885KCNH2 2416/4885
US-20090209566-A1 Spirocyclic Compounds NR1H2, RORA, NR2E3 HDAC2 24/4885HDAC1 12/4885KCNH2 2541/4885
US-20070117824-A1 Spirocyclic compounds BRDT, TXNRD3, HDAC1 HDAC2 8/4885HDAC1 3/4885KCNH2 2416/4885
US-20130131041-A1 SPIROCYCLIC COMPOUNDS BRDT, TXNRD3, HDAC1 HDAC2 8/4885HDAC1 3/4885KCNH2 2416/4885

“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.