SCHEMBL381069

SCHEMBL381069

CN(CCCN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cn1)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
HDAC1 Q13547 1/20 0.40
SCD O00767 1/20 0.40
RORC P51449 3/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
GLS O94925 1/20 0.39
SYK P43405 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ROCK2 O75116 1/20 0.37
NAMPT P43490 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL15061243 0.85 NAMPT (0.40) SCDGLSNAMPT
SCHEMBL381070 0.84 GLS (0.40) HDAC1SCDGLSNAMPT
SCHEMBL381657 0.83 L3MBTL1 (0.39) F13A1TGM2TGM1HDAC1GLS
SCHEMBL381068 0.80 ATM (0.41) HDAC1SCDGLSMAPTTDP1
SCHEMBL15061244 0.80 HDAC3 (0.41) HDAC1MAPTNAMPT
SCHEMBL31440068 0.80 TOP2A (0.42) F13A1TGM2TGM1HDAC1RORC
SCHEMBL381397 0.79 HDAC1 (0.41) F13A1TGM2TGM1HDAC1POLB
SCHEMBL380665 0.79 HDAC1 (0.48) F13A1TGM2TGM1HDAC1MAPT
SCHEMBL380752 0.79 HDAC1 (0.48) HDAC1MAPTMAPK1TDP1NPC1
SCHEMBL13851530 0.76 SYK (0.51) TGM2SYKPOLBMAPTMAPK1

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-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 F13A1 1660/4885TGM2 2466/4885TGM1 1826/4885

“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.