SCHEMBL412198

SCHEMBL412198

CCOC(=O)CCC(NC(=O)C(N)CCCNC(=N)N)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ NPY4R P50391 10/20 0.44
▸ NPY1R P25929 5/20 0.44
▸ NPY2R P49146 4/20 0.42
▸ NPY5R Q15761 4/20 0.42
▸ NOD1 Q9Y239 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL13050780 0.86 NOD1 (0.48) KMT2ANPY4RNPY1RNPY2RNPY5R
SCHEMBL463466 0.86 NPY4R (0.52) KMT2APOLBNPY4RNPY1RNPY2R
SCHEMBL7904153 0.84 L3MBTL1 (0.67) KMT2APOLBL3MBTL1NOD1KDM4E
SCHEMBL3935159 0.83 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL411635 0.82 KMT2A (0.58) KMT2APOLBL3MBTL1NOD1KDM4E
SCHEMBL30434218 0.81 NPY4R (0.59) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL18049032 0.81 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RNOD1
Hydrochloric Acid SCHEMBL15512550 0.81 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL23836846 0.80 NPY4R (0.42) KMT2APOLBL3MBTL1NPY4RNPY1R
Hydrochloric Acid SCHEMBL30380134 0.80 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RNOD1

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-8871252-B2 pH-responsive liposome NANOTHETA CO, LTD. (JP) 2014-10-28 — — US disclosed
US-20120064148-A1 PH-RESPONSIVE LIPOSOME BIONANOSHEETER CO., LTD. (JP) 2012-03-15 — — 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-20120064148-A1 PH-RESPONSIVE LIPOSOME LIPA, SMPD3, SMPD1 KMT2A 2691/4885POLB 4763/4885L3MBTL1 1139/4885

“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.

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