SCHEMBL5116095

SCHEMBL5116095

Cc1cc2c(cc1C)=NC(=O)C(=O)N=2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7838055 0.83 CYP3A4 (0.44) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL3227644 0.82 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1320586 0.71 KDM4E (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11675400 0.71 KDM4E (0.36) KDM4EALDH1A1HPGD
SCHEMBL7784289 0.70 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1827309 0.67 CYP3A4 (0.44) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL157744 0.64 CYP3A4 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL586536 0.63 KDM4E (0.33) KDM4EALDH1A1HPGD
SCHEMBL9999337 0.61
Hydrochloric Acid SCHEMBL2948518 0.61 MAPT (0.38) KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080138817-A1 Novel Functional Peptide Nucleic Acid Monomer and Process for Producing the Same CREDIA JAPAN CO., LTD. (JP) 2008-06-12 US disclosed
US-7282575-B2 Functional peptide nucleic acid monomer and process for producing the same CREDIA JAPAN CO., LTD. (JP) 2007-10-16 US disclosed
US-20040101839-A1 Novel functional peptide nucleic acid monomer and process for producing the same CREDIA JAPAN CO., LTD. (JP) 2004-05-27 US disclosed
EP-1357112-A1 NOVEL FUNCTIONAL PEPTIDE NUCLEIC ACID MONOMER AND PROCESS FOR PRODUCING THE SAME Applied Biosystems Japan Ltd. (JP) 2003-10-29 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 (2 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-20040101839-A1 Novel functional peptide nucleic acid monomer and process for producing the same NSUN3, NSUN2, RNGTT GRIN2D 3157/4885GRIN3B 2439/4885GRIN1 3721/4885
US-20080138817-A1 Novel Functional Peptide Nucleic Acid Monomer and Process for Producing the Same NSUN3, RNGTT, NSUN2 GRIN2D 3405/4885GRIN3B 2421/4885GRIN1 3255/4885

“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.