SCHEMBL4423683

SCHEMBL4423683

O=C(NCCCI)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
EPHX2 P34913 1/20 0.51
FABP7 O15540 2/20 0.44
FABP5 Q01469 2/20 0.44
CASP3 P42574 2/20 0.43
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL16119263 0.92 KMT2A (0.66) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL793384 0.90 KMT2A (0.85) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL31031901 0.87 KMT2A (0.72) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL29468684 0.87 KMT2A (0.72) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL230688 0.87 KMT2A (0.72) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL28617673 0.87 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL6063328 0.86 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL23111835 0.86 KMT2A (0.74) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL17971325 0.86 KMT2A (0.74) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL1660910 0.86 KMT2A (0.74) KMT2AEPHX2FABP7FABP5CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8512675-B2 N and/or Nα derivatized, metal and organic protected L-histidine for coupling to biomolecules for highly efficient labeling with [M(OH2)3 (CO)3]+ by fac coordination MALLINCKRODT LLC (US) 2013-08-20 US disclosed
EP-1618380-B1 N epsilon AND/OR N alpha DERIVATIZED, METAL AND ORGANIC PROTECTED L-HISTIDINE FOR COUPLING TO BIOMOLECULES FOR HIGHLY EFFICIENT LABELING WITH (M(OH2)3(CO)3)+ BY FAC COORDINATION UNIV ZUERICH (CH) 2009-12-30 EP disclosed
CN-100507563-C N.epsilon. and/or n.alpha. derivatized, metal and organic protected l-histidine for coupling to biomolecules for highly efficient labeling with [m(oh2)3(co)3]+ by fac coordination UNIV ZUERICH (CH) 2009-07-01 CN disclosed
US-20070077195-A1 \"N and/or nalpha derivatized, metal and organic protected l-histidine for coupling to biomolecules for highly efficient labeling with [m(oh2)3 (co)3]+ by fac coordination\ UNIVERSITY OF ZURICH (CH) 2007-04-05 US disclosed
CN-1781021-A N.epsilon. and/or n.alpha. derivatized, metal and organic protected l-histidine for coupling to biomolecules for highly efficient labeling with [m(oh2)3(co)3]+ by fac coordination UNIV ZUERICH (CH) 2006-05-31 CN 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-20070077195-A1 \"N and/or nalpha derivatized, metal and organic protected l-histidine for coupling to biomolecules for highly efficient labeling with [m(oh2)3 (co)3]+ by fac coordination\ CPN1, NUCB2, NAA15 KMT2A 1591/4885EPHX2 1984/4885FABP7 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.