SCHEMBL2375433

SCHEMBL2375433

O=C(O)[C@H](Cc1ccccc1)N(Cc1ccc(N2CCOCC2)nc1)C(=O)C=Cc1ccc(C(F)(F)F)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
TLR7 Q9NYK1 1/20 0.38
AOC3 Q16853 2/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
DGAT1 O75907 2/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SFRP1 Q8N474 1/20 0.35
SNCA P37840 1/20 0.34
MAPK8 P45983 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL2375441 1.00 KDM4E (0.42) KDM4ETLR7AOC3MEN1LMNA
SCHEMBL2375430 1.00 KDM4E (0.42) KDM4ETLR7AOC3MEN1LMNA
SCHEMBL2374679 0.92 KDM4E (0.41) KDM4ETLR7AOC3LMNADGAT1
SCHEMBL2374683 0.92 KDM4E (0.41) KDM4ETLR7AOC3LMNADGAT1
SCHEMBL2374687 0.92 KDM4E (0.41) KDM4ETLR7AOC3LMNADGAT1
SCHEMBL2339062 0.91 L3MBTL1 (0.41) KDM4EMEN1LMNAKMT2ATHRB
SCHEMBL2339052 0.91 L3MBTL1 (0.41) KDM4EMEN1LMNAKMT2ATHRB
SCHEMBL2339055 0.91 L3MBTL1 (0.41) KDM4EMEN1LMNAKMT2ATHRB
SCHEMBL2373456 0.88 LMNA (0.37) KDM4EMEN1LMNAKMT2AMAPT
SCHEMBL2373454 0.88 LMNA (0.37) KDM4EMEN1LMNAKMT2AMAPT

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 KDM4E 1004/4885TLR7 2038/4885AOC3 3831/4885

“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.