SCHEMBL2373778

SCHEMBL2373778

CC(=O)N1CCN(c2ccc(CN[C@@H](Cc3ccccc3)C(=O)N3CCC(N(C)C)CC3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.52
MAPT P10636 5/20 0.52
ALOX15 P16050 5/20 0.52
ALOX12 P18054 5/20 0.52
GFER P55789 4/20 0.52
MAPK1 P28482 3/20 0.52
RORC P51449 9/20 0.51
RORB Q92753 1/20 0.46
POLB P06746 3/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ENPP2 Q13822 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL2373787 1.00 GAA (0.52) GAAMAPTALOX15ALOX12GFER
SCHEMBL2373794 0.90 L3MBTL1 (0.45) MAPTGFERRORCPOLBSMN1; SMN2
SCHEMBL2373800 0.90 L3MBTL1 (0.45) MAPTGFERRORCPOLBSMN1; SMN2
SCHEMBL15809910 0.85 MAPK1 (0.55) GAAMAPTALOX15ALOX12GFER
SCHEMBL15809911 0.85 MAPK1 (0.55) GAAMAPTALOX15ALOX12GFER
SCHEMBL15810069 0.83 MAPK1 (0.49) GAAMAPTALOX15ALOX12GFER
SCHEMBL15810067 0.83 MAPK1 (0.49) GAAMAPTALOX15ALOX12GFER
SCHEMBL15810002 0.81 L3MBTL1 (0.53) GAAMAPTALOX15ALOX12GFER
SCHEMBL15810003 0.81 L3MBTL1 (0.53) GAAMAPTALOX15ALOX12GFER
SCHEMBL2373494 0.81 GPR142 (0.44) MAPK1

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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 GAA 625/4885MAPT 316/4885ALOX15 2914/4885

“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.