SCHEMBL381256

SCHEMBL381256

COC(=O)c1ccc(CN(Cc2ccc(C(=O)OCc3ccccc3)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
NCOR2 Q9Y618 1/20 0.61
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 4/20 0.51
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.49

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
SCHEMBL3748913 0.93 HDAC1 (0.65) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL1853690 0.88 HDAC3 (0.58) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL380610 0.85 HDAC1 (0.56) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL1794319 0.82 HDAC3 (0.49) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL1368166 0.82 HDAC1 (0.52) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL2655936 0.81 HDAC1 (0.54) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL14004878 0.81 HDAC3 (0.66) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL22388846 0.81 KMT2A (0.76) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL7188228 0.80 MAPT (0.58) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL6541235 0.80 HDAC3 (0.56) HDAC3HDAC1HDAC2NCOR2ALDH1A1

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 HDAC3 202/4885HDAC1 414/4885HDAC2 326/4885

“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.