SCHEMBL2374743

SCHEMBL2374743

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
MAPK1 P28482 1/20 0.65
PABPC1 P11940 1/20 0.60
POLB P06746 2/20 0.59
HRH2 P25021 1/20 0.58
HRH1 P35367 1/20 0.58
CTSS P25774 2/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSK P43235 1/20 0.55
ACE P12821 1/20 0.54
AKT1 P31749 1/20 0.52

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
SCHEMBL2374750 1.00 KMT2A (0.68) KMT2AMAPK1PABPC1POLBHRH2
SCHEMBL10421620 0.92 KMT2A (0.59) KMT2AMAPK1PABPC1POLBHRH2
SCHEMBL6162477 0.89 KMT2A (0.71) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL6162815 0.89 KMT2A (0.71) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL6162484 0.89 KMT2A (0.71) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL27014496 0.88 POLB (0.61) KMT2AMAPK1POLB
SCHEMBL2374758 0.87 KMT2A (0.68) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL2374766 0.87 KMT2A (0.68) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL4900321 0.87 KMT2A (0.67) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL5408063 0.87 KMT2A (0.67) KMT2AMAPK1PABPC1HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 KMT2A 515/4885MAPK1 3730/4885PABPC1 3519/4885

“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.