SCHEMBL5048259

SCHEMBL5048259

CC(C)(C)OC(=O)NC1CCNC1(Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 1/20 0.42
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
AKT1 P31749 2/20 0.38
KCNA3 P22001 1/20 0.38
GRIN2B Q13224 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
DRD2 P14416 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
IDO1 P14902 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
SCHEMBL5330628 0.76 KMT2A (0.49) KMT2AL3MBTL1EPHX2KDM1AMAOB
SCHEMBL960725 0.74 KMT2A (0.45) KMT2AL3MBTL1EPHX2KDM1AMAOB
SCHEMBL1503870 0.72 KMT2A (0.45) KMT2AL3MBTL1EPHX2KDM1AMAOB
SCHEMBL1504079 0.72 KMT2A (0.45) KMT2AL3MBTL1EPHX2KDM1AMAOB
SCHEMBL1504083 0.72 KMT2A (0.45) KMT2AL3MBTL1EPHX2KDM1AMAOB
SCHEMBL1503868 0.72 KMT2A (0.45) KMT2AL3MBTL1EPHX2KDM1AMAOB
SCHEMBL4980874 0.71 KMT2A (0.52) KMT2AL3MBTL1EPHX2KDM1AMAOB
SCHEMBL14813020 0.71 KMT2A (0.42) KMT2AL3MBTL1EPHX2KDM1AMAOB
SCHEMBL12078899 0.70 KMT2A (0.42) KMT2AL3MBTL1EPHX2CA12CA1
SCHEMBL12078900 0.70 KMT2A (0.42) KMT2AL3MBTL1EPHX2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides BAYER HEALTHCARE AG (DE) 2005-04-07 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-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides VIP, LNPEP, HAMP KMT2A 3838/4885L3MBTL1 382/4885EPHX2 4761/4885

“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.