SCHEMBL7113140

SCHEMBL7113140

NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
EPHX2 P34913 1/20 0.51
FABP7 O15540 2/20 0.44
FABP5 Q01469 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CASP3 P42574 2/20 0.43

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
SCHEMBL608621 0.93 KMT2A (0.73) KMT2AEPHX2FABP7FABP5CA1
SCHEMBL14639568 0.91 KMT2A (0.81) KMT2AEPHX2FABP7FABP5CA1
SCHEMBL14086099 0.91 KMT2A (0.81) KMT2AEPHX2FABP7FABP5CA1
SCHEMBL29397906 0.87 KMT2A (0.81) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL178687 0.87 KMT2A (0.81) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL29423575 0.87 KMT2A (0.81) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL29904323 0.86 KMT2A (0.64) KMT2AEPHX2FABP7FABP5CA1
SCHEMBL4741668 0.86 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL5582202 0.86 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL30275540 0.86 KMT2A (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267941-A1 IRNA AGENTS WITH BIOCLEAVABLE TETHERS ALNYLAM PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-7723509-B2 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to target tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; biodrugs ALNYLAM PHARMACEUTICALS (US) 2010-05-25 US disclosed
EP-1347784-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION Bristol-Myers Squibb Pharma Company (US) 2003-10-01 EP disclosed
WO-2002036173-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-05-10 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-20100267941-A1 IRNA AGENTS WITH BIOCLEAVABLE TETHERS DCLRE1A, PARP1, LIG1 KMT2A 2087/4885EPHX2 3535/4885FABP7 2425/4885

“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.