SCHEMBL5579212

SCHEMBL5579212

NOCC(=O)NCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ EPHX2 P34913 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ FABP7 O15540 1/20 0.39
▸ FABP5 Q01469 1/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ TLR2 O60603 1/20 0.38

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
SCHEMBL20193301 0.93 KMT2A (0.59) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL31490563 0.93 KMT2A (0.59) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL12650693 0.89 KMT2A (0.58) KMT2AEPHX2LMNASMN1; SMN2FABP7
SCHEMBL23781863 0.88 KMT2A (0.52) KMT2AEPHX2LMNASMN1; SMN2FABP7
SCHEMBL29617446 0.86 KMT2A (0.63) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL20464122 0.86 KMT2A (0.63) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL29687629 0.86 KMT2A (0.58) KMT2AEPHX2LMNASMN1; SMN2FABP7
SCHEMBL29376637 0.86 KMT2A (0.58) KMT2AEPHX2LMNASMN1; SMN2FABP7
SCHEMBL13942897 0.86 KMT2A (0.58) KMT2AEPHX2LMNASMN1; SMN2FABP7
SCHEMBL421253 0.86 KMT2A (0.58) KMT2AEPHX2LMNASMN1; SMN2FABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275911-A1 Targeted Drug-Formaldehyde Conjugates and Methods of Making and Using the Same THE REGENTS OF THE UNIVERSITY OF COLORADO 2007-11-29 — — US disclosed
WO-2005034856-A2 TARGETED DRUG-FORMALDEHYDE CONJUGATES AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2005-04-21 — — 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 (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-20070275911-A1 Targeted Drug-Formaldehyde Conjugates and Methods of Making and Using the Same HCAR1, DHFR, FOLR1 KMT2A 1881/4885EPHX2 357/4885LMNA 2845/4885

“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.

Send feedback