SCHEMBL16724665

SCHEMBL16724665

CCCC/C=N/NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ EPHX2 P34913 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ CASP3 P42574 2/20 0.43
▸ TLR2 O60603 5/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL15893669 0.93 KMT2A (0.50) KMT2AEPHX2TDP1CASP3NPC1
SCHEMBL15896484 0.80 KMT2A (0.47) KMT2AEPHX2CASP3RAB9A
SCHEMBL7408626 0.80 KMT2A (0.49) KMT2AEPHX2CASP3TLR2
SCHEMBL14756776 0.79 KMT2A (0.51) KMT2AEPHX2CASP3
SCHEMBL4091188 0.78 KMT2A (0.49) KMT2AEPHX2CASP3TLR2
SCHEMBL2663589 0.78 KMT2A (0.49) KMT2AEPHX2CASP3TLR2
SCHEMBL8236471 0.77 KMT2A (0.70) KMT2AEPHX2
SCHEMBL4572008 0.76 KMT2A (0.73) KMT2AEPHX2TLR2
SCHEMBL7132449 0.75 KMT2A (0.75) KMT2AEPHX2TLR2
SCHEMBL15893670 0.75 KMT2A (0.59) KMT2AEPHX2CASP3TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141324-A1 STABLE PEPTIDE-BASED FURIN INHIBITORS SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2015-05-21 — — 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 (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-20150141324-A1 STABLE PEPTIDE-BASED FURIN INHIBITORS FURIN, PREP, VIP KMT2A 3976/4885EPHX2 2865/4885TDP1 4648/4885

“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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