SCHEMBL3815099

SCHEMBL3815099

O=C(O)c1cn(C2CC2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
PIK3CG P48736 3/20 0.56
PIK3CD O00329 2/20 0.56
PIK3R1 P27986 2/20 0.56
PIK3CA P42336 2/20 0.56
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
TOP2A P11388 3/20 0.51
TOP2B Q02880 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPT P10636 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL30906935 1.00 KDM4E (0.59) KDM4EPIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL11114593 0.89 KDM4E (0.59) KDM4EPIK3CGPIK3CDPIK3R1PIK3CA
Hydrochloric Acid SCHEMBL28898260 0.88 KDM4E (0.57) KDM4EPIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL29576694 0.84 KDM4E (0.59) KDM4EPIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL29541197 0.84 KDM4E (0.59) KDM4EPIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL10595590 0.84 KDM4E (0.59) KDM4EPIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL7118334 0.84 KDM4E (0.59) KDM4EPIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL17897071 0.84 KDM4E (0.59) KDM4EPIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL9146620 0.84 KDM4E (0.59) KDM4EPIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL7578838 0.84 KDM4E (0.59) KDM4EPIK3CGPIK3CDPIK3R1PIK3CA

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 29 patents — showing the first 20. 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-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 US disclosed
CN-101068824-A Ester-linked macrolides for the treatment of microbial infections GLAXOSMITHKLINE ZAGREB (HR) 2007-11-07 CN disclosed
EP-1453846-B1 14 OR 15 MEMBERED MACROLIDES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2007-05-16 EP disclosed
US-7202221-B2 Macrolides GLAXO GROUP LIMITED (GB) 2007-04-10 US disclosed
CN-1307194-C Macrolides GLAXO GROUP LTD (GB) 2007-03-28 CN disclosed
CN-1612888-A Macrolides GLAXO GROUP LTD (GB) 2005-05-04 CN disclosed
US-20050080025-A1 Macrolides PLIVA D.D. (HR) 2005-04-14 US disclosed
US-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 US disclosed
CN-1097423-A Quinolone-and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-01-18 CN disclosed
EP-0118854-B1 BACTERICIDAL AGENT CONTAINING QUINOLONE-CARBOXYLIC ACIDS BAYER AG (DE) 1986-07-23 EP disclosed
US-4563459-A FUNGICIDES AND BACTERICIDES FOR AGRICULTURAL USE BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
US-4563448-A PHYTOPATHOGENS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
US-4559341-A Quinolonecarboxylic acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-17 US disclosed
US-4559342-A Quinolone acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-17 US disclosed
EP-0121727-A1 Bactericidal agent based on quinolonecarboxylic acids BAYER AG (DE) 1984-10-17 EP disclosed
EP-0118854-A1 Bactericidal agent containing quinolone-carboxylic acids BAYER AG (DE) 1984-09-19 EP disclosed
EP-0117474-A1 Quinolone carboxylic acids, process for their preparation and antibacterial compositions containing them BAYER AG (DE) 1984-09-05 EP disclosed
EP-0117473-A1 Quinolone carboxylic acids, process for their preparation and antibacterial compositions containing them BAYER AG (DE) 1984-09-05 EP disclosed
EP-0113091-A1 Microbiocidal agents based on quinolone-carboxylic acids BAYER AG (DE) 1984-07-11 EP 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-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections CYP51A1, TLR5, MALT1 KDM4E 2612/4885PIK3CG 3612/4885PIK3CD 3052/4885
US-20050080025-A1 Macrolides IL17A, CYP51A1, IL15 KDM4E 2733/4885PIK3CG 4596/4885PIK3CD 4329/4885

“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.