SCHEMBL13319576

SCHEMBL13319576

CNC(=O)C(CCCNC(C)=N)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ TPSAB1 Q15661 1/20 0.46
▸ MDM2 Q00987 3/20 0.45

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
SCHEMBL13311879 0.94 TLR2 (0.54) TLR2KMT2ATPSAB1
SCHEMBL13311882 0.94 TLR2 (0.54) TLR2KMT2ATPSAB1
SCHEMBL12019008 0.92 TLR2 (0.49) TLR2KMT2ATPSAB1MDM2
SCHEMBL12040119 0.90 MDM2 (0.54) TLR2KMT2AMDM2
SCHEMBL13938802 0.89 KMT2A (0.59) TLR2KMT2ATPSAB1MDM2
SCHEMBL27407607 0.85 TLR2 (0.57) TLR2MDM2
SCHEMBL16592017 0.85 KMT2A (0.58) TLR2KMT2ATPSAB1MDM2
SCHEMBL16093051 0.85 KMT2A (0.50) TLR2KMT2AMDM2
SCHEMBL10078346 0.85 KMT2A (0.50) TLR2KMT2AMDM2
SCHEMBL13311876 0.84 TLR2 (0.61) TLR2MDM2

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-8309514-B2 Peptide nucleic acid based guanidinium compounds NITTO DENKO CORPORATION (JP) 2012-11-13 — — US disclosed
US-20100160239-A1 PEPTIDE NUCLEIC ACID BASED GUANIDINIUM COMPOUNDS NITTO DENKO CORPORATION (JP) 2010-06-24 — — US disclosed
US-7700565-B2 Peptide nucleic acid based guanidinium compounds NITTO DENKO CORPORATION (JP) 2010-04-20 — — US disclosed
US-20070072802-A1 Peptide nucleic acid based guanidinium compounds NITTO DENKO CORPORATION (JP) 2007-03-29 — — 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 (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-20070072802-A1 Peptide nucleic acid based guanidinium compounds SLC29A1, SLC29A2, SLC28A1 TLR2 1447/4885KMT2A 4167/4885TPSAB1 4447/4885
US-20100160239-A1 PEPTIDE NUCLEIC ACID BASED GUANIDINIUM COMPOUNDS SLC29A1, SLC29A2, SLC28A1 TLR2 1881/4885KMT2A 4006/4885TPSAB1 4408/4885

“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.

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