SCHEMBL114581

SCHEMBL114581

O=[C]c1ccccc1NNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
EPHX2 P34913 1/20 0.50
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
CASP3 P42574 2/20 0.40
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 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
SCHEMBL114404 0.80 KMT2A (0.60) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL12235815 0.79 KMT2A (0.64) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL6182639 0.79 KMT2A (0.64) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL25612527 0.76 KMT2A (0.68) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL3757636 0.76 KMT2A (0.72) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL13613350 0.76 KMT2A (0.72) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL402111 0.76 KMT2A (0.68) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL21332462 0.75 KMT2A (0.66) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL14898524 0.74 KMT2A (0.59) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL178731 0.73 KMT2A (0.57) KMT2AEPHX2FABP5FABP7CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674020-B2 Process for preparing polyamides UNIVERSITY OF LEICESTER (GB) 2014-03-18 US disclosed
US-20120130017-A1 PROCESS AND NEW COMPOUNDS UNIVERSITY OF LEICESTER (GB) 2012-05-24 US disclosed
EP-2424921-A2 NEW PROCESS AND NEW COMPOUNDS University Of Leicester (GB) 2012-03-07 EP disclosed
WO-2011089393-A1 DETECTION OF TARGET NUCLEIC ACIDS BASED ON OLIGONUCLEOTIDE HYBRIDIZATION AND CHEMICAL LIGATION TRILLION GENOMICS LIMITED (GB) 2011-07-28 WO disclosed
WO-2011070333-A2 PROBES TRILLION GENOMICS LIMITED (GB) 2011-06-16 WO disclosed
WO-2010125382-A2 NEW PROCESS AND NEW COMPOUNDS UNIVERSITY OF LEICESTER (GB) 2010-11-04 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-20120130017-A1 PROCESS AND NEW COMPOUNDS PARG, POLI, NPEPPS KMT2A 507/4885EPHX2 1700/4885FABP5 4792/4885

“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.