SCHEMBL4154426

SCHEMBL4154426

COCCn1cc(C(=O)O)c(=O)c2cc(I)ccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.55
PTPN1 P18031 1/20 0.49
CNR2 P34972 5/20 0.48
CNR1 P21554 4/20 0.48
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
CHRM1 P11229 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL10086145 0.86 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL1431209 0.86 LMNA (0.57) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4157847 0.86 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL27789854 0.84 CNR2 (0.59) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3006540 0.83 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3767466 0.83 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL9028491 0.82 LMNA (0.63) ALDH1A1TSHRCNR2CNR1LMNA
SCHEMBL13008008 0.80 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2989308 0.80 LMNA (0.55) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3003159 0.80 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101627038-A Antibacterial polycyclic urea compounds ASTRAZENECA AB 2010-01-13 CN disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20080312167-A1 4'' Amino Linked Macrolides Useful for the Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTAR (HR) 2008-12-18 US disclosed
US-20080312167-A1 4'' Amino Linked Macrolides Useful for the Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTAR (HR) 2008-12-18 US disclosed
US-20080312167-A1 4'' Amino Linked Macrolides Useful for the Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTAR (HR) 2008-12-18 US disclosed
EP-1945652-A1 MACROLONES GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
EP-1879904-A1 4\" AMINO LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2008-01-23 EP disclosed
WO-2007054296-A1 MACROLONES GLAXO GROUP LIMITED (GB) 2007-05-18 WO disclosed
WO-2006120545-A1 4' AMINO LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2006-11-16 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-20080312167-A1 4'' Amino Linked Macrolides Useful for the Treatment of Microbial Infections IL4I1, IL4, TLR5 KDM4E 1535/4885ALDH1A1 2548/4885HPGD 2512/4885
US-20090170791-A1 MACROLONES CYP51A1, MRPL21, LSS KDM4E 4180/4885ALDH1A1 3645/4885HPGD 2439/4885

“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.