SCHEMBL262303

SCHEMBL262303

O=C(O)c1c2n(c3cc(NC4CCCCC4)c(F)cc3c1=O)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
FOXO1 Q12778 1/20 0.40
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 1/20 0.36
GSK3B P49841 2/20 0.34
KCNK3 O14649 1/20 0.34
PRKD3 O94806 1/20 0.34
PIM1 P11309 1/20 0.34
GSK3A P49840 1/20 0.34
IRAK1 P51617 1/20 0.34
RPS6KA3 P51812 1/20 0.34
DYRK1A Q13627 1/20 0.34
PIM3 Q86V86 1/20 0.34
CSNK1G3 Q9Y6M4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 2/20 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
SCHEMBL1242686 0.86 GAA (0.52) GAAKMT2AMEN1ALDH1A1ALOX15
SCHEMBL1243987 0.86 MEN1 (0.46) GAAKMT2AMEN1FOXO1ALDH1A1
SCHEMBL262175 0.83 GAA (0.48) GAAKMT2AMEN1FOXO1ALDH1A1
SCHEMBL1243945 0.82 MEN1 (0.49) GAAKMT2AMEN1FOXO1ALDH1A1
SCHEMBL1243944 0.81 FOXO1 (0.49) GAAKMT2AMEN1FOXO1ALDH1A1
SCHEMBL1242560 0.77 GAA (0.49) GAAKMT2AMEN1FOXO1ALDH1A1
SCHEMBL1242800 0.75 GAA (0.48) GAAKMT2AMEN1FOXO1ALDH1A1
SCHEMBL262257 0.71 KDM4E (0.58) GAAKMT2AMEN1FOXO1ALDH1A1
SCHEMBL1243866 0.70 KMT2A (0.81) GAAKMT2AMEN1FOXO1ALDH1A1
SCHEMBL10385396 0.70 ALDH1A1 (0.58) GAAKMT2AMEN1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
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
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 (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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 GAA 4203/4885KMT2A 2966/4885MEN1 3327/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 GAA 4528/4885KMT2A 2967/4885MEN1 2994/4885

“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.