SCHEMBL3816671

SCHEMBL3816671

CCOC(=O)c1cn2c3c(cc(N=C(c4ccccc4)c4ccccc4)cc3c1=O)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIM1 P11309 1/20 0.38
IRAK1 P51617 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
PIM3 Q86V86 1/20 0.38
ALOX5 P09917 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
LMNA P02545 1/20 0.36
CSF1R P07333 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
SCHEMBL3814595 0.78 KMT2A (0.44) TDP1MAPTKDM4EALDH1A1MAPK1
SCHEMBL3810010 0.78 KMT2A (0.44) TDP1MAPTKDM4EALDH1A1MAPK1
SCHEMBL3811645 0.78 LMNA (0.49) TDP1PDE3BPDE3AMAPTKDM4E
SCHEMBL3812256 0.78 MTNR1A (0.51) TDP1MAPTKDM4EMEN1KMT2A
SCHEMBL3818994 0.74 PDE3B (0.40) TDP1PDE3BPDE3AMAPTKDM4E
SCHEMBL13799058 0.74 ADRB2 (0.42) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL3812472 0.73 LMNA (0.62) TDP1MAPTKDM4EALDH1A1MAPK1
SCHEMBL3820626 0.73 PDE3B (0.39) TDP1PDE3BPDE3AMAPTKDM4E
SCHEMBL1395803 0.72 MTNR1A (0.54) KDM4EALDH1A1MEN1KMT2AMTNR1A
SCHEMBL4126212 0.72 KDM4E (0.41) TDP1MAPTKDM4EALDH1A1MAPK1

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 16 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
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-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-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
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
EP-1756134-A1 CARBAMATE LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-02-28 EP 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
WO-2005108413-A1 CARBAMATE LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O (US) 2005-11-17 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 (4 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 TDP1 3217/4885PDE3B 1465/4885PDE3A 1898/4885
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 TDP1 2149/4885PDE3B 258/4885PDE3A 255/4885
US-20080312167-A1 4'' Amino Linked Macrolides Useful for the Treatment of Microbial Infections IL4I1, IL4, TLR5 TDP1 3213/4885PDE3B 1514/4885PDE3A 2036/4885
US-20080249033-A1 Carbamate Linked Macrolides Useful For The Treatment Of Microbial Infections CYP51A1, CUTA, MALT1 TDP1 2493/4885PDE3B 776/4885PDE3A 832/4885

“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.