SCHEMBL393109

SCHEMBL393109

CC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38
NAMPT P43490 1/20 0.38
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
ADRB2 P07550 1/20 0.37

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
SCHEMBL393194 0.89 TDP1 (0.60) KMT2ATDP1SLC6A2SLC6A3KDM4E
SCHEMBL395726 0.88 KMT2A (0.48) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL394173 0.88 MAPT (0.47) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL392819 0.88 MAPT (0.49) KMT2ATDP1SLC6A2SLC6A3KDM4E
SCHEMBL390695 0.87 MAPT (0.44) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL393493 0.87 MAPT (0.45) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL395276 0.87 MAPT (0.45) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL395232 0.86 MAPT (0.44) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL392216 0.85 TDP1 (0.41) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL392862 0.84 MAPT (0.43) KMT2ATDP1SLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO claimed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US claimed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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 (1 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 KMT2A 2161/4885TDP1 4661/4885SLC6A2 2576/4885

“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.