SCHEMBL12285643

SCHEMBL12285643

COC(=O)CCCCCNC(=O)OC1Cc2cscc2C#Cc2cscc21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.37
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NAMPT P43490 1/20 0.30

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
SCHEMBL12285453 0.90 KMT2A (0.38) EPHX2SMN1; SMN2
SCHEMBL12288689 0.79 LMNA (0.41) EPHX2LMNAALDH1A1SMN1; SMN2NAMPT
SCHEMBL12288686 0.78 EPHX2 (0.35) EPHX2LMNANAMPT
SCHEMBL12285327 0.76 CYP3A4 (0.36) EPHX2LMNAALDH1A1SMN1; SMN2
SCHEMBL12286312 0.74 LMNA (0.34) EPHX2LMNANAMPT
SCHEMBL18769746 0.73 LMNA (0.36) EPHX2LMNAALDH1A1SMN1; SMN2NAMPT
SCHEMBL14726904 0.72 GAA (0.34) ALDH1A1NAMPT
SCHEMBL14726949 0.71 LMNA (0.34) EPHX2LMNAALDH1A1NAMPT
SCHEMBL18501063 0.70 KMT2A (0.39) NAMPT
SCHEMBL12285877 0.69 HDAC3 (0.40) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-9566340-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2016-04-14 US disclosed
US-9198972-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACEUTICALS, INC. (US) 2013-02-28 US disclosed
WO-2011100131-A9 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACUTICALS, INC. (US) 2011-10-20 WO disclosed
WO-2011100131-A2 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACUTICALS, INC. (US) 2011-08-18 WO 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-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) DNMT1, FANCI, PCNA EPHX2 1527/4885LMNA 3840/4885ALDH1A1 1169/4885
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 EPHX2 1158/4885LMNA 3819/4885ALDH1A1 971/4885
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 EPHX2 1158/4885LMNA 3819/4885ALDH1A1 971/4885

“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.