SCHEMBL5050482

SCHEMBL5050482

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@H]([C]=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.44
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
MCL1 Q07820 5/20 0.43
TACR1 P25103 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
CTRB1 P17538 1/20 0.41
USP30 Q70CQ3 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
SCHEMBL5050554 0.88 CTRB1 (0.53) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL3824430 0.86 CMA1 (0.52) MEN1KMT2ANPC1MCL1TACR1
SCHEMBL28625318 0.81 KMT2A (0.51) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL28625316 0.80 ALDH1A1 (0.52) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL29006896 0.78 NPC1 (0.72) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL2072188 0.78 CTSC (0.53) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL2072191 0.78 CTSC (0.53) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL10432864 0.78 PPARG (0.53) MEN1KMT2ANPC1LMNAALDH1A1
SCHEMBL2073446 0.77 CTSC (0.48) MEN1KMT2ANPC1LMNANPSR1
SCHEMBL2073444 0.77 CTSC (0.48) MEN1KMT2ANPC1LMNANPSR1

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 MEN1 841/4885KMT2A 3838/4885NPC1 1091/4885

“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.