SCHEMBL4165331

SCHEMBL4165331

CCC(CC)n1cc(C(O)P(=O)(O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
GAA P10253 2/20 0.51
KMT2A Q03164 2/20 0.51
FOXO1 Q12778 1/20 0.37
PDE10A Q9Y233 2/20 0.34
ALOX15 P16050 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL263637 0.89 MEN1 (0.48) MEN1GAAKMT2AFOXO1PDE10A
SCHEMBL4164634 0.87 MEN1 (0.50) MEN1GAAKMT2AFOXO1PDE10A
SCHEMBL266815 0.83 MEN1 (0.54) MEN1GAAKMT2AFOXO1PDE10A
SCHEMBL263408 0.83 MEN1 (0.47) MEN1GAAKMT2AFOXO1PDE10A
SCHEMBL4161753 0.82 MEN1 (0.48) MEN1GAAKMT2AFOXO1PDE10A
SCHEMBL262419 0.81 MEN1 (0.49) MEN1GAAKMT2AFOXO1PDE10A
SCHEMBL262418 0.81 MEN1 (0.49) MEN1GAAKMT2AFOXO1PDE10A
SCHEMBL1243337 0.81 MEN1 (0.56) MEN1GAAKMT2AFOXO1PDE10A
SCHEMBL262164 0.81 MEN1 (0.52) MEN1GAAKMT2AFOXO1PDE10A
SCHEMBL261998 0.81 GAA (0.54) MEN1GAAKMT2AFOXO1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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 (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-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 MEN1 2994/4885GAA 4528/4885KMT2A 2967/4885

“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.