SCHEMBL3288208

SCHEMBL3288208

CN(C)n1cc(C(=O)OC(=O)C(F)(F)F)c(=O)c2cc(SCCOCCN)ccc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.30
HTT P42858 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL3296598 0.94 LMNA (0.35) LMNAMAPK1ALDH1A1KDM4EHTT
Trifluoroacetic Acid SCHEMBL3288201 0.88 KDM4E (0.37) LMNAMAPK1ALDH1A1KDM4EHTT
SCHEMBL3291767 0.84 PDE4A (0.33) LMNAMAPK1ALDH1A1KDM4EHTT
SCHEMBL3980217 0.81 LMNA (0.48) LMNAMAPK1ALDH1A1KDM4EHTT
Trifluoroacetic Acid SCHEMBL3296590 0.80 KDM4E (0.40) LMNAALDH1A1KDM4EHTTHPGD
SCHEMBL4391029 0.76 LMNA (0.43) LMNAMAPK1ALDH1A1KDM4EHTT
SCHEMBL5479980 0.76 LMNA (0.41) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL3819899 0.72 LMNA (0.45) LMNAMAPK1ALDH1A1KDM4EHTT
Trifluoroacetic Acid SCHEMBL3291762 0.71 KDM4E (0.37) LMNAMAPK1ALDH1A1KDM4EHTT
SCHEMBL3296288 0.71 BCHE (0.35) LMNAALDH1A1KDM4EHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718621-B2 Macrolones—amino substituted quinolones GLAXO GROUP LTD. (GB) 2010-05-18 US disclosed
US-20080090773-A1 Macrolones - Amino Substituted Quinolones GLAXO GROUP LIMITED (GB) 2008-04-17 US disclosed
EP-1824870-A1 MACROLONES - AMINO SUBSTITUTED QUINOLONES GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050942-A1 MACROLONES - AMINO SUBSTITUTED QUINOLONES GLAXO GROUP LIMITED (GB) 2006-05-18 WO 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-20080090773-A1 Macrolones - Amino Substituted Quinolones MRPL21, Q6ZSR9, QARS1 LMNA 1318/4885MAPK1 2832/4885ALDH1A1 4140/4885

“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.