SCHEMBL21787020

SCHEMBL21787020

CCCCNC(=O)CCCN=[N+]=[N-]

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.50
FAAH O00519 4/20 0.49
CNR1 P21554 2/20 0.47
NAAA Q02083 1/20 0.47
DNM1 Q05193 2/20 0.46
HPGD P15428 2/20 0.43
LPAR1 Q92633 1/20 0.42
EPHX2 P34913 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MMP2 P08253 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL20009458 0.95 CASP2 (0.58) CASP2FAAHCNR1NAAADNM1
SCHEMBL16369373 0.90 FAAH (0.58) CASP2FAAHNAAADNM1LPAR1
SCHEMBL17122488 0.90 CASP2 (0.56) CASP2FAAHNAAADNM1LPAR1
SCHEMBL19560634 0.88 CASP2 (0.56) CASP2FAAHCNR1NAAADNM1
SCHEMBL18089125 0.86 FAAH (0.46) CASP2FAAHCNR1NAAADNM1
SCHEMBL13655533 0.85 FAAH (0.57) CASP2FAAHCNR1NAAADNM1
SCHEMBL13655575 0.85 FAAH (0.57) CASP2FAAHCNR1NAAADNM1
SCHEMBL13655546 0.85 FAAH (0.57) CASP2FAAHCNR1NAAADNM1
SCHEMBL16328587 0.85 CASP2 (0.62) CASP2FAAHNAAADNM1EPHX2
SCHEMBL13655544 0.85 FAAH (0.57) CASP2FAAHCNR1NAAADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230160000-A1 SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-05-25 US disclosed
US-20230028388-A1 DESIGN AND SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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 (3 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-20230028388-A1 DESIGN AND SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS RNGTT, POLRMT, MTR CASP2 4297/4885FAAH 4386/4885CNR1 4429/4885
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT CASP2 3721/4885FAAH 4341/4885CNR1 3872/4885
US-20230160000-A1 SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS POLRMT, RNGTT, MTR CASP2 4212/4885FAAH 4238/4885CNR1 4514/4885

“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.