SCHEMBL10198759

SCHEMBL10198759

CONC(=O)/C=C/C(C)=C/[C@@H](C)C(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.76
HDAC3 O15379 8/20 0.76
HDAC4 P56524 8/20 0.76
HDAC7 Q8WUI4 8/20 0.76
HDAC2 Q92769 8/20 0.76
HDAC10 Q969S8 8/20 0.76
HDAC8 Q9BY41 8/20 0.76
HDAC6 Q9UBN7 8/20 0.76
HDAC9 Q9UKV0 8/20 0.76
HDAC5 Q9UQL6 8/20 0.76
HDAC11 Q96DB2 7/20 0.76
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 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
SCHEMBL17119540 0.88 HDAC1 (0.79) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2381104 0.86 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2378893 0.86 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2378891 0.86 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2381106 0.86 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
Trichostatin SCHEMBL19886 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
Trichostatin SCHEMBL446806 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
Trichostatin SCHEMBL675951 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
Trichostatin SCHEMBL446807 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
Trichostatin SCHEMBL16380793 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795597-B2 Cyclopropylamines as LSD1 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-10-24 US disclosed
US-20170239274-A1 COMBINATION NOVARTIS PHARMA AG (CH) 2017-08-24 US disclosed
US-20170189408-A1 NOVEL PHARMACEUTICAL COMPOSITION NOVARTIS AG (CH) 2017-07-06 US disclosed
US-20170020878-A1 COMBINATION COMPRISING A BTK INHIBITOR AND AN AKT INHIBITOR NOVARTIS AG (CH) 2017-01-26 US disclosed
US-20160235714-A1 ENZALUTAMIDE IN COMBINATION WITH AFURESERTIB FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-08-18 US disclosed
US-20160228456-A1 COMBINATION NOVARTIS PHARMA AG (CH) 2016-08-11 US disclosed
US-20160220547-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-08-04 US disclosed
US-9399021-B2 Pharmaceutical composition NOVARTIS AG (CH) 2016-07-26 US disclosed
US-9271941-B2 Pharmaceutical composition NOVARTIS AG (CH) 2016-03-01 US disclosed
US-20150342957-A1 COMBINATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-12-03 US disclosed
US-20150313906-A1 COMBINATION GLAXOSMITHKLINE LLC 2015-11-05 US disclosed
US-9085622-B2 Antigen binding proteins GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-07-21 US disclosed
US-8853408-B2 Cyclopropylamines as LSD1 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-10-07 US disclosed
US-20140154316-A1 NOVEL PHARMACEUTICAL COMPOSITION GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-06-05 US disclosed
US-20140037726-A1 NOVEL PHARMACEUTICAL COMPOSITION GLAXOSMITHKLINE LLC (US) 2014-02-06 US disclosed
US-20140018393-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS Glaxo Smith Kline LLC 2014-01-16 US disclosed
US-20130156779-A1 NOVEL ANTIGEN BINDING PROTEINS GLAXO GROUP LIMITED (GB) 2013-06-20 US disclosed
US-20120302579-A1 CANCER TREATMENT METHOD GLAXOSMITHKLINE LLC 2012-11-29 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 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 (14 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-20170239274-A1 COMBINATION CYP17A1, HSD17B11, HSD17B1 HDAC1 128/4885HDAC3 247/4885HDAC4 753/4885
US-20160220547-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3B HDAC1 67/4885HDAC3 92/4885HDAC4 121/4885
US-20120302579-A1 CANCER TREATMENT METHOD MPL, TPO, PROKR1 HDAC1 4523/4885HDAC3 4472/4885HDAC4 3805/4885
US-20130156779-A1 NOVEL ANTIGEN BINDING PROTEINS CD2BP2, HSPBP1, LGALS3BP HDAC1 3555/4885HDAC3 4264/4885HDAC4 3147/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R HDAC1 2055/4885HDAC3 2478/4885HDAC4 3077/4885
US-20170020878-A1 COMBINATION COMPRISING A BTK INHIBITOR AND AN AKT INHIBITOR BTK, PIK3CD, PIK3CA HDAC1 842/4885HDAC3 926/4885HDAC4 1224/4885
US-20140154316-A1 NOVEL PHARMACEUTICAL COMPOSITION PHOSPHO1, PLA2G2C, TTR HDAC1 1261/4885HDAC3 481/4885HDAC4 1122/4885
US-20140018393-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3B HDAC1 67/4885HDAC3 92/4885HDAC4 121/4885
US-20160228456-A1 COMBINATION CYP17A1, HSD17B11, HSD17B1 HDAC1 143/4885HDAC3 304/4885HDAC4 994/4885
US-20160235714-A1 ENZALUTAMIDE IN COMBINATION WITH AFURESERTIB FOR THE TREATMENT OF CANCER AR, PIK3CA, NR5A1 HDAC1 7/4885HDAC3 16/4885HDAC4 67/4885
US-20140037726-A1 NOVEL PHARMACEUTICAL COMPOSITION PHOSPHO1, PLA2G2C, TTR HDAC1 1261/4885HDAC3 481/4885HDAC4 1122/4885
US-20150313906-A1 COMBINATION EZH2, BMI1, DOT1L HDAC1 16/4885HDAC3 25/4885HDAC4 54/4885
US-20170189408-A1 NOVEL PHARMACEUTICAL COMPOSITION TTR, PHOSPHO1, PLA2G2C HDAC1 1427/4885HDAC3 584/4885HDAC4 1127/4885
US-20150342957-A1 COMBINATION PAICS, CA6, CA5A HDAC1 67/4885HDAC3 19/4885HDAC4 27/4885

“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.