SCHEMBL262175

SCHEMBL262175

O=c1c(CO)c2n(c3cc(NC4CCCCC4)c(F)cc13)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
FOXO1 Q12778 1/20 0.36
DHODH Q02127 5/20 0.34
MAP2K1 Q02750 2/20 0.33
KCNK3 O14649 1/20 0.33
ALDH1A1 P00352 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX15 P16050 1/20 0.32
KAT2B Q92831 1/20 0.31
SLC6A9 P48067 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL262303 0.83 GAA (0.48) GAAMEN1KMT2AFOXO1DHODH
SCHEMBL1242686 0.81 GAA (0.52) GAAMEN1KMT2AALDH1A1ALOX15
SCHEMBL262566 0.71 MEN1 (0.53) GAAMEN1KMT2AFOXO1DHODH
SCHEMBL1243944 0.71 FOXO1 (0.49) GAAMEN1KMT2AFOXO1MAP2K1
SCHEMBL1243945 0.70 MEN1 (0.49) GAAMEN1KMT2AFOXO1ALDH1A1
SCHEMBL1243987 0.69 MEN1 (0.46) GAAMEN1KMT2AFOXO1ALDH1A1
SCHEMBL263832 0.67 MEN1 (0.51) GAAMEN1KMT2AFOXO1DHODH
SCHEMBL262114 0.67 MEN1 (0.53) GAAMEN1KMT2AFOXO1ALDH1A1
SCHEMBL263477 0.67 MEN1 (0.48) GAAMEN1KMT2AFOXO1ALDH1A1
SCHEMBL1242809 0.67 MEN1 (0.66) GAAMEN1KMT2AFOXO1ALDH1A1

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 4203/4885MEN1 3327/4885KMT2A 2966/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 GAA 4528/4885MEN1 2994/4885KMT2A 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.