SCHEMBL13718290

SCHEMBL13718290

COc1c(F)c(F)cc2c(=O)c(C(=O)n3ccnc3)cn(C3CC3)c12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.50
▸ KDM4E B2RXH2 5/20 0.49
▸ HPGD P15428 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ CLK2 P49760 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ TOP2A P11388 5/20 0.48
▸ TOP2B Q02880 5/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL28564124 0.83 KDM4E (0.75) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL28580476 0.82 KDM4E (0.62) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL10014153 0.82 KCNH2 (0.55) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL29393776 0.82 KDM4E (0.65) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL483223 0.82 KDM4E (0.65) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL541514 0.81 KDM4E (0.64) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL5792882 0.81 GSK3B (0.55) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL14208183 0.81 KCNH2 (0.55) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL541515 0.81 KDM4E (0.64) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL28424222 0.81 KDM4E (0.64) KCNH2KDM4EHPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756135-B1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ZAGREB (HR) 2009-08-12 — — EP disclosed
US-7547679-B2 Ether linked macrolides useful for the treatment of microbial infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2009-06-16 — — US disclosed
US-7547679-B2 Ether linked macrolides useful for the treatment of microbial infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2009-06-16 — — 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-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 — — US disclosed
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 — — US disclosed
US-20080249033-A1 Carbamate Linked Macrolides Useful For The Treatment Of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O. (HR) 2008-10-09 — — US disclosed
US-20080249033-A1 Carbamate Linked Macrolides Useful For The Treatment Of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O. (HR) 2008-10-09 — — 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 (3 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-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections CYP51A1, TLR5, MALT1 KCNH2 4040/4885KDM4E 2612/4885HPGD 1842/4885
US-20080312167-A1 4'' Amino Linked Macrolides Useful for the Treatment of Microbial Infections IL4I1, IL4, TLR5 KCNH2 3759/4885KDM4E 1535/4885HPGD 2512/4885
US-20080249033-A1 Carbamate Linked Macrolides Useful For The Treatment Of Microbial Infections CYP51A1, CUTA, MALT1 KCNH2 2240/4885KDM4E 620/4885HPGD 3347/4885

“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.

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