SCHEMBL4192563

SCHEMBL4192563

CCCCOC(=O)NCCC(N)c1cnn2c1N(C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
HRH3 Q9Y5N1 2/20 0.32
TLR8 Q9NR97 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
ACHE P22303 7/20 0.32
BCHE P06276 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL4198742 0.91 KMT2A (0.35) KMT2AMEN1MAPTPOLBHRH3
SCHEMBL4196108 0.86 ITGB3 (0.35) KMT2AMEN1MAPTPOLBACHE
SCHEMBL4210067 0.76 MEN1 (0.32) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL4979436 0.75 ITGB3 (0.36) HRH3HRH4ACHE
SCHEMBL4199957 0.72 MEN1 (0.37) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL4207415 0.70 MEN1 (0.37) KMT2AMEN1MAPTALDH1A1
SCHEMBL4193786 0.68 MEN1 (0.38) KMT2AMEN1BCHEALDH1A1
SCHEMBL24439537 0.67 TP53 (0.38) KMT2AMEN1TP53
SCHEMBL30809535 0.66 MEN1 (0.35) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL21530912 0.66 UCHL1 (0.38) KMT2AMEN1MAPTSMN1; SMN2

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-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents ASTELLAS PHARMA INC. (JP) 2009-01-08 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-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents CEP170, Q6ZSR9, H1-10 KMT2A 2117/4885MEN1 590/4885MAPT 4139/4885

“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.