SCHEMBL4170476

SCHEMBL4170476

CCOC(=O)COC(C(=O)O)c1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
FOXO1 Q12778 1/20 0.37
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK6 Q00534 1/20 0.34
CASP3 P42574 4/20 0.34
PPOX P50336 1/20 0.33
BRD4 O60885 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL14248206 0.83 MEN1 (0.49) MEN1GAAKMT2AFOXO1ALOX15
SCHEMBL262013 0.81 MEN1 (0.49) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL263718 0.80 MEN1 (0.45) MEN1GAAKMT2AFOXO1ALOX15
SCHEMBL263352 0.79 MEN1 (0.49) MEN1GAAKMT2AFOXO1ALOX15
SCHEMBL262684 0.78 MEN1 (0.48) MEN1GAAKMT2AFOXO1ALOX15
SCHEMBL27656231 0.78 MEN1 (0.57) MEN1GAAKMT2AFOXO1ALDH1A1
Hydrochloric Acid SCHEMBL27763884 0.77 MEN1 (0.47) MEN1GAAKMT2AFOXO1ALOX15
SCHEMBL14247997 0.77 MEN1 (0.49) MEN1GAAKMT2AFOXO1ALOX15
SCHEMBL14248432 0.76 MEN1 (0.48) MEN1GAAKMT2AFOXO1ALOX15
SCHEMBL14248142 0.76 MEN1 (0.49) MEN1GAAKMT2AFOXO1ALOX15

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-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US 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 (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.