SCHEMBL10330332

SCHEMBL10330332

CCNC(=O)CN(CC)C(=O)CC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
FAAH O00519 1/20 0.36
KMT2A Q03164 4/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL15479660 0.84 MCL1 (0.41) MCL1GAAHTTLMNAKMT2A
SCHEMBL18858943 0.81 CYP2D6 (0.41) GAAHTTLMNAKMT2ANPC1
SCHEMBL22819443 0.81 MCL1 (0.39) MCL1GAAHTTLMNAFAAH
SCHEMBL16750157 0.81 LMNA (0.38) MCL1GAAHTTLMNAKMT2A
SCHEMBL25623226 0.78 POLB (0.41) GAAHTTKMT2ATDP1MEN1
SCHEMBL2603166 0.77 KMT2A (0.33) GAAHTTKMT2ANPC1MEN1
SCHEMBL19984231 0.77 MCL1 (0.39) MCL1FAAHKMT2AMEN1
SCHEMBL20849997 0.75 MEN1 (0.52) KMT2AMEN1
SCHEMBL1829003 0.75
SCHEMBL22822406 0.75 PAOX (0.45) LMNAFAAHKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170095503-A1 INHIBITION OF ENDOSOMAL TOLL-LIKE RECEPTOR ACTIVATION DUKE UNIVERSITY (US) 2017-04-06 US disclosed
US-9468650-B2 Inhibition of endosomal toll-like receptor activation DUKE UNIVERSITY (US) 2016-10-18 US disclosed
US-20160250165-A1 Method of Modulating the Activity of a Nucleic Acid Molecule DUKE UNIVERSITY (US) 2016-09-01 US disclosed
US-9340591-B2 Method of modulating the activity of a nucleic acid molecule DUKE UNIVERSITY (US) 2016-05-17 US disclosed
US-20120245340-A1 NOVEL ARTIFICIAL FLUORESCENT BASES TAGCYX BIOTECHNOLOGIES (JP) 2012-09-27 US disclosed
US-20120183564-A1 INHIBITION OF ENDOSOMAL TOLL-LIKE RECEPTOR ACTIVATION DUKE UNIVERSITY 2012-07-19 US disclosed
US-20100184822-A1 Method of modulating the activity of a nucleic acid molecule DUKE UNIVERSITY (US) 2010-07-22 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 (5 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-20170095503-A1 INHIBITION OF ENDOSOMAL TOLL-LIKE RECEPTOR ACTIVATION TLR3, TLR9, TLR1 MCL1 3758/4885GAA 318/4885HTT 3541/4885
US-20120183564-A1 INHIBITION OF ENDOSOMAL TOLL-LIKE RECEPTOR ACTIVATION TLR3, TLR9, TLR1 MCL1 3758/4885GAA 318/4885HTT 3541/4885
US-20120245340-A1 NOVEL ARTIFICIAL FLUORESCENT BASES NUDT1, NT5C3B, NSUN2 MCL1 2075/4885GAA 1010/4885HTT 2201/4885
US-20100184822-A1 Method of modulating the activity of a nucleic acid molecule NSUN2, POLRMT, POLM MCL1 514/4885GAA 533/4885HTT 433/4885
US-20160250165-A1 Method of Modulating the Activity of a Nucleic Acid Molecule NSUN2, POLRMT, POLM MCL1 514/4885GAA 533/4885HTT 433/4885

“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.