SCHEMBL13311547

SCHEMBL13311547

CNCC(=O)NCCOCCOCCNC(=O)CNC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.40
CA2 P00918 7/20 0.39
CA1 P00915 6/20 0.39
CA12 O43570 4/20 0.36
CA4 P22748 4/20 0.36
CA9 Q16790 4/20 0.36
CA14 Q9ULX7 4/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL24307290 0.92 TSHR (0.43) MEN1KMT2ASMN1; SMN2CA2CA1
SCHEMBL16081648 0.91 MEN1 (0.42) MEN1KMT2ASMN1; SMN2CA2CA1
SCHEMBL19133112 0.90 EPHX2 (0.43) MEN1KMT2ASMN1; SMN2CA2CA1
SCHEMBL22349961 0.89 MEN1 (0.41) MEN1KMT2ASMN1; SMN2CA2CA1
SCHEMBL25698883 0.89 TSHR (0.41) MEN1KMT2ASMN1; SMN2CA2CA1
SCHEMBL21762771 0.88 MEN1 (0.39) MEN1KMT2ASMN1; SMN2CA2CA1
SCHEMBL8956669 0.88 MEN1 (0.39) MEN1KMT2ASMN1; SMN2CA2CA1
SCHEMBL16081529 0.88 MEN1 (0.39) MEN1KMT2ASMN1; SMN2CA2CA1
SCHEMBL12402012 0.88 EPHX2 (0.41) MEN1KMT2ASMN1; SMN2CA2CA1
SCHEMBL14669876 0.88 TSHR (0.46) MEN1KMT2ASMN1; SMN2CA2CA1

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-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-03 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-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS TNFRSF1A, TNFRSF9, CD40 MEN1 2811/4885KMT2A 4303/4885SMN1; SMN2 4569/4885

“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.