SCHEMBL1243855

SCHEMBL1243855

CCC(CC)n1cc(C(=O)O)c(=O)c2c(OCc3ccccc3)c(F)c(NC3CCCCC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 1/20 0.51
GSK3B P49841 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
SGMS2 Q8NHU3 1/20 0.37
MAOB P27338 1/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
BRD4 O60885 1/20 0.34
HPGD P15428 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL262836 0.86 FOXO1 (0.51) FOXO1GSK3BGAASGMS2MAOB
SCHEMBL17387389 0.83 FOXO1 (0.59) FOXO1GSK3BKMT2AMEN1GAA
SCHEMBL31372321 0.83 FOXO1 (0.59) FOXO1GSK3BKMT2AMEN1GAA
SCHEMBL18925604 0.77 FOXO1 (0.51) FOXO1GSK3BKMT2AMEN1GAA
SCHEMBL4116045 0.71 FOXO1 (0.46) FOXO1GSK3BKMT2AMEN1GAA
SCHEMBL1241462 0.71 FOXO1 (0.46) FOXO1GSK3BKMT2AMEN1GAA
SCHEMBL1242709 0.70 FOXO1 (0.83) FOXO1GSK3BKMT2AMEN1GAA
SCHEMBL27656225 0.70 FOXO1 (0.42) FOXO1GSK3BKMT2AMEN1GAA
SCHEMBL27656227 0.69 FOXO1 (0.44) FOXO1GSK3BKMT2AMEN1GAA
SCHEMBL27656230 0.69 MEN1 (0.56) FOXO1GSK3BKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879878-B2 such as {2-[({[7-(cyclohexylamino)-6-fluoro-4-oxo-1-[(3S)-tetrahydrofuran-3-yl]-1,4-dihydroquinolin-3-yl}carbonyl)amino]ethyl}phosphonic acid, used as platelet aggregation inhibitor and purinergic receptor (P2Y12) inhibitors; therapy for circulatory diseases involving thrombosis via platelet aggregation ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US disclosed
CN-100471842-C Carbostyril derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-03-25 CN disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 US disclosed
CN-1826321-A Quinolone derivative or its salt YAMANOUCHI PHARMA CO LTD (JP) 2006-08-30 CN disclosed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 US disclosed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 EP 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 4219/4885GSK3B 1875/4885KMT2A 2659/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS FOXO1 4219/4885GSK3B 1875/4885KMT2A 2659/4885

“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.