SCHEMBL19938019

SCHEMBL19938019

CC(C)(C)CCNC(=O)c1ccc(N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.67
ESRRG P62508 1/20 0.61
LMNA P02545 3/20 0.58
MAPK1 P28482 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SLC22A2 O15244 1/20 0.58
SLC22A1 O15245 1/20 0.58
TSHR P16473 1/20 0.58
ACHE P22303 1/20 0.58
CYP2C19 P33261 1/20 0.58
EPHX2 P34913 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HIF1A Q16665 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51

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
SCHEMBL17865780 0.91 MLYCD (0.77) MLYCDESRRGLMNAMAPK1ALDH1A1
SCHEMBL9784573 0.85 MLYCD (0.65) MLYCDESRRGMAPK1EPHX2NAMPT
SCHEMBL12243059 0.84 MLYCD (0.69) MLYCDESRRGLMNAMAPK1ALDH1A1
SCHEMBL5687748 0.84 MLYCD (0.69) MLYCDESRRGMAPK1ALDH1A1CYP2C19
SCHEMBL24610430 0.83 MLYCD (0.63) MLYCDESRRGLMNAMAPK1ALDH1A1
SCHEMBL9344489 0.83 KDM4E (0.68) ESRRGLMNAMAPK1ALDH1A1SLC22A2
SCHEMBL7213166 0.83 MLYCD (0.71) MLYCDALDH1A1HDAC6NAMPTNPC1
SCHEMBL19976489 0.83 KDM4E (0.54) MLYCDESRRGLMNAMAPK1ALDH1A1
SCHEMBL10224050 0.82 MLYCD (0.66) MLYCDESRRGLMNAEPHX2NAMPT
SCHEMBL9659945 0.82 LMNA (0.57) MLYCDESRRGLMNAMAPK1ALDH1A1

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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 MLYCD 157/4885ESRRG 1321/4885LMNA 2404/4885

“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.