SCHEMBL2375730

SCHEMBL2375730

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2C=CC=CC2C1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MAPK1 P28482 1/20 0.56
CTSS P25774 3/20 0.55
CTSK P43235 2/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
HRH2 P25021 1/20 0.53
HRH1 P35367 1/20 0.53
PABPC1 P11940 1/20 0.53
ACE P12821 2/20 0.53
ATM Q13315 1/20 0.51
AKT1 P31749 1/20 0.51
ADORA1 P30542 1/20 0.50
PARP1 P09874 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SCN9A Q15858 1/20 0.48

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
SCHEMBL2375725 1.00 KMT2A (0.60) KMT2AMAPK1CTSSCTSKCTSL
SCHEMBL6162598 0.89 KMT2A (0.62) KMT2AMAPK1CTSSCTSKCTSL
SCHEMBL6162594 0.89 KMT2A (0.62) KMT2AMAPK1CTSSCTSKCTSL
SCHEMBL6624367 0.89 KMT2A (0.62) KMT2AMAPK1CTSSCTSKCTSL
SCHEMBL6624940 0.89 KMT2A (0.62) KMT2AMAPK1CTSSCTSKCTSL
SCHEMBL6161955 0.89 KMT2A (0.62) KMT2AMAPK1CTSSCTSKCTSL
SCHEMBL6162796 0.89 KMT2A (0.62) KMT2AMAPK1CTSSCTSKCTSL
SCHEMBL8113033 0.88 KMT2A (0.61) KMT2AMAPK1CTSSCTSKCTSL
SCHEMBL8113029 0.88 KMT2A (0.61) KMT2AMAPK1CTSSCTSKCTSL
SCHEMBL5408063 0.84 KMT2A (0.67) KMT2AMAPK1CTSSCTSKCTSL

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 3730/4885CTSS 127/4885

“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.