SCHEMBL832428

SCHEMBL832428

CC(C)(C)OC(=O)CNC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC2 Q92769 2/20 0.56
NCOR2 Q9Y618 1/20 0.56
SPHK2 Q9NRA0 1/20 0.56
MAOB P27338 1/20 0.56
LMNA P02545 1/20 0.55
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
PTPRC P08575 2/20 0.53

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
SCHEMBL834204 0.88 SMN1; SMN2 (0.61) HDAC1HDAC3HDAC2NCOR2SPHK2
SCHEMBL749687 0.85 HDAC1 (0.60) HDAC1HDAC3HDAC2NCOR2SPHK2
SCHEMBL1222607 0.85 RAB9A (0.65) HDAC1HDAC3HDAC2NCOR2SPHK2
SCHEMBL1222408 0.84 ITGB3 (0.73) HDAC1HDAC3HDAC2NCOR2SPHK2
SCHEMBL6084716 0.83 PTPRC (0.62) LMNASMN1; SMN2NPC1RAB9APTPRC
SCHEMBL864308 0.83 HDAC1 (0.61) HDAC1HDAC3HDAC2NCOR2MAOB
SCHEMBL10272688 0.83 HDAC3 (0.60) HDAC1HDAC3HDAC2NCOR2SPHK2
SCHEMBL8957429 0.83 NPC1 (0.62) HDAC1HDAC3HDAC2NCOR2SPHK2
SCHEMBL1223199 0.82 MEN1 (0.53) MAOBLMNASMN1; SMN2MEN1KMT2A
SCHEMBL25870996 0.82 NR4A1 (0.66) HDAC1HDAC3HDAC2NCOR2SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497397-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-30 US disclosed
EP-1880720-B1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-02-13 EP disclosed
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-8143446-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-27 US disclosed
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO COMPANY , LIMITED (JP) 2009-05-07 US disclosed
EP-1880720-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-01-23 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 (2 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-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ACR, NAT1, C1S HDAC1 1297/4885HDAC3 1069/4885HDAC2 1934/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S HDAC1 1297/4885HDAC3 1069/4885HDAC2 1934/4885

“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.