SCHEMBL8169286

SCHEMBL8169286

CC(C)(C)OC(=O)Nc1cn(-c2cccc(Cl)c2)nc1NC(=O)c1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DGAT1 O75907 1/20 0.41
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
KDR P35968 1/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
P4HTM Q9NXG6 1/20 0.38

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
SCHEMBL8232214 0.92 MDM4 (0.40) KCNQ3KCNQ2KMT2AMEN1CYP1A2
SCHEMBL8168949 0.92 DGAT1 (0.48) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL1639194 0.86 KCNQ3 (0.46) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL8174448 0.78 PARP1 (0.42) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL1640896 0.78 DGAT1 (0.52) KCNQ3KCNQ2KMT2AMEN1DGAT1
SCHEMBL5228223 0.76 MDM4 (0.62) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL8235738 0.76 KDM4E (0.43) ALDH1A1KDM4ELMNAMAPT
SCHEMBL4457846 0.73 HDAC1 (0.48) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL2438296 0.72 HDAC1 (0.46) ALDH1A1KDM4ELMNAMAPT
SCHEMBL1639961 0.71 DGAT1 (0.49) KCNQ3KCNQ2KMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110098268-A1 SPIROCYCLIC COMPOUNDS MERCK & CO., INC (US) 2011-04-28 US disclosed
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 disclosed
US-20090209566-A1 Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-08-20 US disclosed
US-7544695-B2 Spirocyclic compounds MERCK & CO., INC. (US) 2009-06-09 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 KCNQ3 2559/4885KCNQ2 2478/4885KCNE1 2350/4885
US-20090209566-A1 Spirocyclic Compounds NR1H2, RORA, NR2E3 KCNQ3 2909/4885KCNQ2 2871/4885KCNE1 1525/4885
US-20070117824-A1 Spirocyclic compounds BRDT, TXNRD3, HDAC1 KCNQ3 2559/4885KCNQ2 2478/4885KCNE1 2350/4885
US-20130131041-A1 SPIROCYCLIC COMPOUNDS BRDT, TXNRD3, HDAC1 KCNQ3 2559/4885KCNQ2 2478/4885KCNE1 2350/4885

“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.