SCHEMBL4098860

SCHEMBL4098860

O=C(O)CNC(=O)c1cn(C2CC(O)C(O)C2O)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
FOXO1 Q12778 1/20 0.38
POU2F2 P09086 3/20 0.37
CNR2 P34972 10/20 0.35
CNR1 P21554 9/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL262069 0.87 MEN1 (0.59) MEN1GAAKMT2AFOXO1POU2F2
SCHEMBL1242793 0.85 MEN1 (0.52) MEN1GAAKMT2AFOXO1CNR2
SCHEMBL4100133 0.81 MEN1 (0.53) MEN1GAAKMT2AFOXO1POU2F2
SCHEMBL4103702 0.81 MEN1 (0.53) MEN1GAAKMT2AFOXO1POU2F2
SCHEMBL4110428 0.81 MEN1 (0.79) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL4099016 0.80 MEN1 (0.51) MEN1GAAKMT2AFOXO1POU2F2
Hydrochloric Acid SCHEMBL1243620 0.79 MEN1 (0.66) MEN1GAAKMT2AFOXO1CNR2
SCHEMBL4109622 0.79 MEN1 (0.66) MEN1GAAKMT2AFOXO1CNR2
SCHEMBL1244248 0.79 MEN1 (0.56) MEN1GAAKMT2AFOXO1CNR2
SCHEMBL4108658 0.79 MEN1 (0.50) MEN1GAAKMT2AFOXO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US 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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF THPO, ABL1, GMPS MEN1 2643/4885GAA 1758/4885KMT2A 2659/4885

“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.