SCHEMBL3293003

SCHEMBL3293003

CN(C)n1cc(C(=O)O)c(=O)c2cc(SCCNC(=O)OC(C)(C)C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
BRD4 O60885 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
SDCBP O00560 1/20 0.33
SDC2 P34741 1/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A1 P04798 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
SCHEMBL3296288 0.93 BCHE (0.35) IDO1KDM4EALDH1A1HPGDTSHR
SCHEMBL3289243 0.89 LMNA (0.40) IDO1KDM4EALDH1A1HPGDRAB9A
SCHEMBL3983514 0.85 ALDH1A1 (0.51) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL3983498 0.85 ALDH1A1 (0.51) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL3293923 0.82 P2RY14 (0.39) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL4396358 0.81 ALDH1A1 (0.48) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL3812384 0.81 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL3288612 0.80 DDB1 (0.43) IDO1KDM4EALDH1A1HPGDTSHR
SCHEMBL3291726 0.79 CA12 (0.44) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL3288890 0.79 PTPN11 (0.47) KDM4EALDH1A1HPGDTSHRRAB9A

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 8 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-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20080090773-A1 Macrolones - Amino Substituted Quinolones GLAXO GROUP LIMITED (GB) 2008-04-17 US disclosed
CN-101098881-A Macrolones - amino substituted quinolones GLAXO GROUP LTD (GB) 2008-01-02 CN disclosed
EP-1824870-A1 MACROLONES - AMINO SUBSTITUTED QUINOLONES GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO 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 (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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 IDO1 2982/4885KDM4E 3897/4885ALDH1A1 4011/4885
US-20080090773-A1 Macrolones - Amino Substituted Quinolones MRPL21, Q6ZSR9, QARS1 IDO1 2606/4885KDM4E 2889/4885ALDH1A1 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.