SCHEMBL335129

SCHEMBL335129

O=C(O)CCOCCOc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
TOP2A P11388 1/20 0.43
CYP2C9 P11712 1/20 0.43
TOP2B Q02880 1/20 0.43
PIK3CG P48736 5/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PIK3CD O00329 3/20 0.40
PIK3R1 P27986 3/20 0.40
PIK3CA P42336 3/20 0.40
KMO O15229 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLA2G2A P14555 1/20 0.36

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
SCHEMBL13799059 1.00 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL13799060 0.91 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10243304 0.91 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4397020 0.89 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL13799061 0.88 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3818685 0.88 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3809966 0.87 KDM4E (0.46) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3809995 0.84 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL335178 0.83 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3814772 0.82 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
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
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP 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-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 US disclosed
US-20080221158-A1 Novel 14 and 15 Membered Ring Compounds PLIVA - Istrazivacki Institut d.o.o 2008-09-11 US disclosed
US-7351696-B2 Compounds GLAXO GROUP LIMITED (GB) 2008-04-01 US disclosed
EP-1633765-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2007-11-14 EP disclosed
US-20070213283-A1 Macrolides substituted at the 4\"-position GLAXO GROUP LIMITED (GB) 2007-09-13 US disclosed
US-20070037757-A1 Compounds GLAXO GROUP LIMITED (GB) 2007-02-15 US disclosed
US-20060258600-A1 14- or 15-Membered macrolides substituted at the 4'' position such as 4''-O-[2-(2-{2-[2-(3-Carboxy-7-chloro-1-cyclopropyl-4-oxo-1,4-dihydro-quinolin-6-ylamino)-ethoxy]-ethoxy}-ethylamino)-ethyl]-azithromycin 11,12-cyclic carbonate; therapy or prophylaxis of systemic or topical microbial infections PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-11-16 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 (6 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-20070037757-A1 Compounds FPR1, TSLP, TLR5 KDM4E 3706/4885ALDH1A1 131/4885LMNA 3262/4885
US-20080221158-A1 Novel 14 and 15 Membered Ring Compounds IL17A, CYP51A1, IL15 KDM4E 3036/4885ALDH1A1 1819/4885LMNA 4115/4885
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections CYP51A1, TLR5, MALT1 KDM4E 2612/4885ALDH1A1 2370/4885LMNA 2596/4885
US-20060258600-A1 14- or 15-Membered macrolides substituted at the 4'' position such as 4''-O-[2-(2-{2-[2-(3-Carboxy-7-chloro-1-cyclopropyl-4-oxo-1,4-dihydro-quinolin-6-ylamino)-ethoxy]-ethoxy}-ethylamino)-ethyl]-azithromycin 11,12-cyclic carbonate; therapy or prophylaxis of systemic or topical microbial infections IL17A, IL15, CASP14 KDM4E 1422/4885ALDH1A1 3802/4885LMNA 3341/4885
US-20070213283-A1 Macrolides substituted at the 4\"-position IL4, CYP51A1, IL17A KDM4E 1543/4885ALDH1A1 2288/4885LMNA 2144/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 KDM4E 128/4885ALDH1A1 1939/4885LMNA 1467/4885

“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.