SCHEMBL380752

SCHEMBL380752

COC(=O)c1ccc(C(=O)N(C)CCCN(C)C(=O)OCc2ccccc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.45
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 3/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL380665 0.90 HDAC1 (0.48) HDAC1ALDH1A1HPGDMAPTBCHE
SCHEMBL381397 0.84 HDAC1 (0.41) HDAC1ALDH1A1HPGDMAPTNPC1
SCHEMBL9343302 0.81 MAPK1 (0.57) HDAC1MAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL9346609 0.79 PKM (0.67) MAPK1KDM4EL3MBTL1PKMALDH1A1
SCHEMBL381069 0.79 F13A1 (0.41) HDAC1MAPK1MAPTSMN1; SMN2NPC1
SCHEMBL381657 0.78 L3MBTL1 (0.39) HDAC1L3MBTL1ALDH1A1HPGDMAPT
SCHEMBL206874 0.74 ALDH1A1 (0.57) HDAC1MAPK1KDM4EPKMALDH1A1
SCHEMBL5151557 0.73 CA1 (0.56) MAPK1KDM4EPKMALDH1A1HPGD
SCHEMBL1225570 0.73 ALDH1A1 (0.49) HDAC1MAPK1L3MBTL1ALDH1A1HPGD
SCHEMBL25526046 0.73 ALDH1A1 (0.49) HDAC1MAPK1L3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
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 HDAC1 414/4885MAPK1 1972/4885KDM4E 1529/4885

“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.