SCHEMBL393341

SCHEMBL393341

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)c1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 9/20 0.46
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MGAM O43451 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL393327 0.87 MAPT (0.51) KDM4ESMN1; SMN2MAPTKMT2AL3MBTL1
SCHEMBL394359 0.79 HRH3 (0.43) KDM4ESMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL393653 0.77 ADRB2 (0.46) KDM4EMAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL394164 0.77 KDM4E (0.43) KDM4EMAPTKMT2AL3MBTL1MEN1
SCHEMBL392988 0.75 KDM4E (0.46) KDM4ESMN1; SMN2MAPTKMT2AL3MBTL1
SCHEMBL390381 0.75 MAPK1 (0.41) SMN1; SMN2MAPTKMT2AALDH1A1GAA
SCHEMBL394011 0.74 MEN1 (0.55) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL438867 0.74 KDM4E (0.46) KDM4ESMN1; SMN2MAPTKMT2AL3MBTL1
SCHEMBL393416 0.74 ADRB2 (0.44) MAPTPOLB
SCHEMBL393282 0.73 ADRB2 (0.43) KDM4ESMN1; SMN2MAPTKMT2AL3MBTL1

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 KDM4E 1240/4885SMN1; SMN2 4211/4885MAPT 4452/4885

“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.