SCHEMBL4116045

SCHEMBL4116045

CCC(CC)n1cc(C(=O)NCC(=O)O)c(=O)c2c(N(C)C)c(F)c(NC3CCCCC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 1/20 0.46
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE10A Q9Y233 1/20 0.37
GSK3B P49841 1/20 0.35
CNR1 P21554 11/20 0.33
CNR2 P34972 11/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL27656225 0.91 FOXO1 (0.42) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL1241462 0.88 FOXO1 (0.46) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL27656227 0.84 FOXO1 (0.44) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL31372321 0.80 FOXO1 (0.59) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL17387389 0.80 FOXO1 (0.59) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL18925604 0.79 FOXO1 (0.51) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL1244248 0.76 MEN1 (0.56) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL4097888 0.73 FOXO1 (0.60) FOXO1MEN1GAAKMT2AGSK3B
SCHEMBL1243855 0.71 FOXO1 (0.51) FOXO1MEN1GAAKMT2AGSK3B
SCHEMBL4165411 0.71 MEN1 (0.52) FOXO1MEN1GAAKMT2APDE10A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 US disclosed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 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 (2 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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF THPO, ABL1, GMPS FOXO1 4219/4885MEN1 2643/4885GAA 1758/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS FOXO1 4219/4885MEN1 2643/4885GAA 1758/4885

“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.