SCHEMBL1243795

SCHEMBL1243795

C=CCN1CCNC(=O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CYP3A4 P08684 2/20 0.37
POLB P06746 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.31
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 2/20 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
SCHEMBL166418 0.81
SCHEMBL28634889 0.79 DPP4 (0.33) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL15348022 0.79 ALDH1A1 (0.31) POLBALDH1A1
SCHEMBL10968482 0.79 POLB (0.35) CYP3A4POLBALDH1A1MAPTKMT2A
SCHEMBL11388691 0.79 KDM4E (0.38) CYP3A4POLBALDH1A1MAPTKMT2A
SCHEMBL8958844 0.78 CYP3A4 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10964834 0.76 POLB (0.33) CYP3A4POLBALDH1A1MAPTKMT2A
SCHEMBL1277501 0.75 MEN1 (0.37) CYP3A4POLBALDH1A1MAPTKMT2A
SCHEMBL27967528 0.75 POLB (0.35) CYP3A4POLBALDH1A1MAPTKMT2A
SCHEMBL29170967 0.74 ALDH1A1 (0.40) CYP3A4POLBALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 US disclosed
EP-3155436-A1 ISOBARIC MASS LABELS Electrophoretics Limited (GB) 2017-04-19 EP disclosed
WO-2015189413-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2015-12-17 WO disclosed
US-8679773-B2 Kits pertaining to analyte determination DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2014-03-25 US disclosed
EP-2251334-B1 Labeling reagents and labeled analytes DH TECHNOLOGIES DEV PTE LTD (SG) 2013-08-14 EP disclosed
US-8273706-B2 Isobarically labeled analytes and fragment ions derived therefrom DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2012-09-25 US disclosed
US-20110217720-A1 Compositions and Kits Pertaining to Analyte Determination PAPPIN DARRYL J C 2011-09-08 US disclosed
EP-1588145-B1 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION LIFE TECHNOLOGIES CORP (US) 2011-07-06 EP disclosed
US-7947513-B2 Sets and compositions pertaining to analyte determination DH Technologies Ptd. Ltd. (SG) 2011-05-24 US disclosed
US-7910059-B2 For the determination of an analyte or analytes such as proteins, peptides, nucleic acids, carbohydrates, lipids, steroids and small molecules by mass analysis DH TECHNOLOGIES PTE. LTD. (SG) 2011-03-22 US disclosed
EP-1701945-A1 LABELING REAGENTS, LABELED ANALYTES, INCLUDING MIXTURES THEREOF, AND FRAGMENT IONS DERIVED THEREFROM AND METHODS FOR THE ANALYSIS THEREOF Applera Corporation (US) 2006-09-20 EP disclosed
US-20060105416-A1 Methods, compositions and kits pertaining to analyte determination APPLERA CORPORATION (US) 2006-05-18 US disclosed
EP-1588145-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION Applera Corporation (US) 2005-10-26 EP disclosed
WO-2005068446-A1 LABELING REAGENTS, LABELED ANALYTES, INCLUDING MIXTURES THEREOF, AND FRAGMENT IONS DERIVED THEREFROM AND METHODS FOR THE ANALYSIS THEREOF APPLERA CORPORATION (US) 2005-07-28 WO disclosed
US-20050148087-A1 Isobarically labeled analytes and fragment ions derived therefrom APPLERA CORPORATION 2005-07-07 US disclosed
US-20040220412-A1 Compositions and kits pertaining to analyte determination APPLE CORPORATION 2004-11-04 US disclosed
US-20040219686-A1 Methods and mixtures pertaining to analyte determination APPLIED BIOSYSTEMS, LLC 2004-11-04 US disclosed
US-20040219685-A1 Methods and mixtures pertaining to analyte determination using electrophilic labeling reagents APPLERA CORPORATION 2004-11-04 US disclosed
WO-2004070352-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION APPLERA CORPORATION (US) 2004-08-19 WO disclosed
EP-0249176-A2 Process for the preparation of 2,3-dioxo-4-oxycarbonyl piperazine derivatives BASF Aktiengesellschaft (DE) 1987-12-16 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-20060105416-A1 Methods, compositions and kits pertaining to analyte determination SRMS, SHBG, KLK3 HDAC3 3627/4885HDAC4 4701/4885HDAC1 4627/4885
US-20050148087-A1 Isobarically labeled analytes and fragment ions derived therefrom KLK3, SRMS, PTMS HDAC3 2780/4885HDAC4 4180/4885HDAC1 4395/4885
US-20170146549-A1 ISOBARIC MASS LABELS SRMS, PTMS, QPCTL HDAC3 1593/4885HDAC4 2896/4885HDAC1 1252/4885
US-20040220412-A1 Compositions and kits pertaining to analyte determination KLK3, SRMS, SHBG HDAC3 4055/4885HDAC4 4758/4885HDAC1 4759/4885

“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.