SCHEMBL3290754

SCHEMBL3290754

CCOC(=O)c1cn(NCC(=O)OC(C)(C)C)c2c(F)cc(I)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
STAT3 P40763 2/20 0.41
MAP2K2 P36507 1/20 0.40
MAP2K1 Q02750 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ADRB2 P07550 1/20 0.38
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL3289292 0.84 STAT3 (0.46) KMT2ASTAT3MAP2K2MAP2K1KDM4E
SCHEMBL3290751 0.79 STAT3 (0.41) KMT2ASTAT3MAP2K2MAP2K1KDM4E
SCHEMBL7935807 0.78 MAP2K2 (0.53) KMT2ASTAT3MAP2K2MAP2K1KDM4E
SCHEMBL1432398 0.77 KMT2A (0.49) KMT2ASTAT3MAP2K2MAP2K1KDM4E
SCHEMBL6724013 0.76 MAP2K2 (0.40) KMT2ASTAT3MAP2K2MAP2K1KDM4E
SCHEMBL10899211 0.76 KDM4E (0.43) KMT2ASTAT3KDM4EALDH1A1HPGD
SCHEMBL3291748 0.75 STAT3 (0.44) KMT2ASTAT3MAP2K2MAP2K1KDM4E
SCHEMBL4186452 0.75 KMT2A (0.47) KMT2ASTAT3MAP2K2MAP2K1KDM4E
SCHEMBL13326853 0.74 STAT3 (0.52) KMT2ASTAT3MAP2K2MAP2K1KDM4E
SCHEMBL9572075 0.73 STAT3 (0.56) KMT2ASTAT3MAP2K2MAP2K1KDM4E

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 KMT2A 2845/4885STAT3 3327/4885MAP2K2 4300/4885

“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.