SCHEMBL12866016

SCHEMBL12866016

O=C(NF)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
EPHX2 P34913 1/20 0.58
FABP5 Q01469 3/20 0.50
FABP7 O15540 2/20 0.50
CASP3 P42574 2/20 0.48
MDM4 O15151 1/20 0.48
TP53 P04637 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL21332462 0.86 KMT2A (0.66) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL30238049 0.85 KMT2A (0.64) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL1800381 0.85 KMT2A (0.64) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL12370458 0.83 EPHX2 (0.50) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL401725 0.83 KMT2A (0.67) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL31031957 0.83 KMT2A (0.67) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL29367495 0.83 KMT2A (0.67) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL13688459 0.83 KMT2A (0.62) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL31173373 0.83 KMT2A (0.62) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL29728458 0.83 KMT2A (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039798-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES EASTERN VIRGINIA MEDICAL SCHOOL (US) 2011-02-17 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-20110039798-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES SAMHD1, TLR3, MAVS KMT2A 3954/4885EPHX2 3962/4885FABP5 468/4885

“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.