SCHEMBL13799062

SCHEMBL13799062

CCOC(=O)c1cn2c3c(cc(C#CCN4CCNCC4)cc3c1=O)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
CSF1R P07333 1/20 0.33
PLAT P00750 1/20 0.33
LMNA P02545 2/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3810463 0.87 MEN1 (0.34) KDM4EMAPTKMT2AMEN1MAPK1
SCHEMBL13799063 0.85 ALDH1A1 (0.36) KDM4EMAPTKMT2AMEN1MAPK1
SCHEMBL3978702 0.80 DDB1 (0.41) KDM4EMAPTKMT2AMEN1MAPK1
SCHEMBL3810462 0.79 STAT3 (0.32) KDM4EMAPTKMT2AMEN1MAPK1
SCHEMBL3811645 0.76 LMNA (0.49) KDM4EMAPTKMT2AMEN1MAPK1
SCHEMBL3810010 0.76 KMT2A (0.44) KDM4EMAPTKMT2AMEN1MAPK1
SCHEMBL3814595 0.76 KMT2A (0.44) KDM4EMAPTKMT2AMEN1MAPK1
SCHEMBL13799057 0.76 LMNA (0.56) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL5442448 0.74 DDB1 (0.42) KDM4EKMT2AMEN1MAPK1STAT3
SCHEMBL3812256 0.72 MTNR1A (0.51) KDM4EMAPTKMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2612/4885MAPT 3849/4885KMT2A 4129/4885
US-20080312167-A1 4'' Amino Linked Macrolides Useful for the Treatment of Microbial Infections IL4I1, IL4, TLR5 KDM4E 1535/4885MAPT 3559/4885KMT2A 3278/4885
US-20080249033-A1 Carbamate Linked Macrolides Useful For The Treatment Of Microbial Infections CYP51A1, CUTA, MALT1 KDM4E 620/4885MAPT 3437/4885KMT2A 2509/4885

“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.