SCHEMBL12439670

SCHEMBL12439670

CC(=O)NCCC(NC(C)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
PTGS2 P35354 1/20 0.55
THPO P40225 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
FOLH1 Q04609 3/20 0.54
ALDH1A1 P00352 2/20 0.53
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
GNPAT O15228 2/20 0.45
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
ALB P02768 2/20 0.42
RIMKLA Q8IXN7 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.41

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
Bisorcic SCHEMBL2109666 0.88 FOLH1 (0.64) SMN1; SMN2KDM4EMAPTTHRBALOX15
Bisorcic SCHEMBL16238411 0.88 FOLH1 (0.64) SMN1; SMN2KDM4EMAPTTHRBALOX15
Bisorcic SCHEMBL2109664 0.88 FOLH1 (0.64) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL16393150 0.86 FOLH1 (0.71) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL1200060 0.86 FOLH1 (0.71) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL2735591 0.86 FOLH1 (0.71) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL9800454 0.82 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL9800461 0.82 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL648868 0.81 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL648867 0.81 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15

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-20110178292-A1 SYNTHESIS OF CYCLIC AMIDINES BITOP AG (DE) 2011-07-21 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-20110178292-A1 SYNTHESIS OF CYCLIC AMIDINES ODC1, PAM, COASY SMN1; SMN2 4414/4885KDM4E 3917/4885MAPT 4392/4885

“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.