SCHEMBL2866274

SCHEMBL2866274

C#CN(C(C)=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 6/20 0.39
POLB P06746 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
MEN1 O00255 5/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL483415 0.83 NPSR1 (0.44) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL3239982 0.83 NPSR1 (0.44) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL2394240 0.81 NPSR1 (0.43) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL437417 0.79 NPSR1 (0.41) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL9134202 0.79 NPSR1 (0.41) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL3237294 0.79 NPSR1 (0.41) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL11011944 0.79 NPSR1 (0.41) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL28249141 0.78 ALDH1A1 (0.40) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL4560019 0.78 L3MBTL1 (0.46) NPSR1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL15611386 0.78 NPSR1 (0.40) NPSR1ALDH1A1TSHRGLAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2202238-A1 Nucleotide Compounds including a rigid linker Applied Biosystems, LLC (US) 2010-06-30 EP disclosed
EP-1121371-B8 NUCLEOTIDE COMPOUNDS INCLUDING A RIGID LINKER APPLIED BIOSYSTEMS LLC (US) 2009-09-02 EP disclosed
EP-1121371-B1 NUCLEOTIDE COMPOUNDS INCLUDING A RIGID LINKER APPLIED BIOSYSTEMS LLC (US) 2009-05-27 EP disclosed
US-6653462-B2 Useful as substrates for polymerases and in primer extension; mutants APPLERA CORPORATION 2003-11-25 US disclosed
US-20020151711-A1 Nucleotide compounds including a rigid linker PE CORPORATION (NY) (US) 2002-10-17 US disclosed
EP-1121371-A1 NUCLEOTIDE COMPOUNDS INCLUDING A RIGID LINKER Applera Corporation (US) 2001-08-08 EP disclosed
EP-0834499-B1 Process for the preparation of aromatic vinyl compounds DAINIPPON INK & CHEMICALS (JP) 2001-07-25 EP disclosed
US-6197555-B1 PRIMER EXTENSION REACTION USING NUCLEOTIDE OF DEFINED STRUCTURE; FOR SANGER-TYPE SEQUENCING REACTIONS WITH EVEN DISTRIBUTION OF PEAK HEIGHTS THE PERKIN-ELMER CORPORATION 2001-03-06 US disclosed
WO-2000021974-A1 NUCLEOTIDE COMPOUNDS INCLUDING A RIGID LINKER THE PERKIN-ELMER CORPORATION (US) 2000-04-20 WO disclosed
EP-0834499-A1 Process for the preparation of aromatic vinyl compounds DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-04-08 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 (1 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-20020151711-A1 Nucleotide compounds including a rigid linker TYMP, PNP, DCTD NPSR1 3107/4885ALDH1A1 3227/4885TSHR 2781/4885

“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.