SCHEMBL262831

SCHEMBL262831

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
FOXO1 Q12778 1/20 0.39
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
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
SCHEMBL262393 0.86 KMT2A (0.45) MEN1KMT2AGAAFOXO1PDE10A
SCHEMBL263753 0.85 MEN1 (0.47) MEN1KMT2AGAAFOXO1ALDH1A1
SCHEMBL4180748 0.83 MEN1 (0.51) MEN1KMT2AGAAFOXO1PDE10A
SCHEMBL263900 0.82 MEN1 (0.46) MEN1KMT2AGAAFOXO1PDE10A
Hydrochloric Acid SCHEMBL261736 0.81 MEN1 (0.52) MEN1KMT2AGAAFOXO1PDE10A
SCHEMBL265446 0.81 MEN1 (0.49) MEN1KMT2AGAAFOXO1PDE10A
SCHEMBL4311087 0.80 MEN1 (0.47) MEN1KMT2AGAAFOXO1PDE10A
SCHEMBL261879 0.80 MEN1 (0.43) MEN1KMT2AGAAFOXO1ALDH1A1
SCHEMBL266815 0.79 MEN1 (0.54) MEN1KMT2AGAAFOXO1PDE10A
SCHEMBL262929 0.79 MEN1 (0.48) MEN1KMT2AGAAFOXO1PDE10A

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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 MEN1 3327/4885KMT2A 2966/4885GAA 4203/4885

“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.