SCHEMBL2599989

SCHEMBL2599989

CC(C)(C)OC(=O)N(Cc1ccc(Cl)cn1)c1ccc(Br)c(F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
SSTR4 P31391 1/20 0.38
TRPA1 O75762 1/20 0.35
HTR2C P28335 2/20 0.32
SLC6A4 P31645 2/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CPB2 Q96IY4 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2599990 0.87 HDAC1 (0.40) HDAC1HDAC8HDAC6SSTR4TRPA1
SCHEMBL1267060 0.86 SSTR4 (0.38) HDAC1HDAC8HDAC6SSTR4FNTA
SCHEMBL12675376 0.81 SSTR4 (0.38) HDAC1HDAC8HDAC6SSTR4MAPT
SCHEMBL12675387 0.77 SSTR4 (0.38) HDAC1HDAC8HDAC6SSTR4GRM2
SCHEMBL2599985 0.77 SSTR4 (0.36) HDAC1HDAC8HDAC6SSTR4HTR2C
SCHEMBL2599977 0.76 SSTR4 (0.41) HDAC1HDAC8HDAC6SSTR4GRM2
SCHEMBL2599984 0.76 SSTR4 (0.39) HDAC1HDAC8HDAC6SSTR4HTR2C
SCHEMBL1886499 0.76 SSTR4 (0.37) HDAC1HDAC8HDAC6SSTR4MAPT
SCHEMBL12675381 0.76 KCNH2 (0.40) HDAC1HDAC8HDAC6SSTR4KCNH2
SCHEMBL1267645 0.76 ADORA2B (0.39) HDAC1HDAC8HDAC6SSTR4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 US disclosed
US-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US disclosed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US disclosed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US disclosed
US-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 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-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG HDAC1 3273/4885HDAC8 2519/4885HDAC6 3020/4885
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG HDAC1 3273/4885HDAC8 2519/4885HDAC6 3020/4885
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG HDAC1 3273/4885HDAC8 2519/4885HDAC6 3020/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF HDAC1 2665/4885HDAC8 1851/4885HDAC6 2506/4885

“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.