SCHEMBL4229832

SCHEMBL4229832

O=C(/C=C/c1cnc(NC2CCN(C(=O)c3cccc(Cl)c3)CC2)c(Cl)c1)NOC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.38
NAMPT P43490 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
ADRB2 P07550 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
SYK P43405 1/20 0.37
PKM P14618 1/20 0.37
PAK1 Q13153 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MGLL Q99685 1/20 0.36
EPHX2 P34913 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
SCHEMBL4229837 1.00 L3MBTL1 (0.40) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4223274 0.96 CCNK (0.43) L3MBTL1KDM4EALDH1A1KCNH2CCNK
SCHEMBL4223279 0.96 CCNK (0.43) L3MBTL1KDM4EALDH1A1KCNH2CCNK
SCHEMBL4228042 0.93 NPY2R (0.41) MEN1KMT2ANAMPTCCNKCDK12
SCHEMBL4228045 0.93 NPY2R (0.41) MEN1KMT2ANAMPTCCNKCDK12
SCHEMBL4220533 0.92 PAK1 (0.45) KMT2AEGLN1CCNKCDK12PAK1
SCHEMBL4220540 0.92 PAK1 (0.45) KMT2AEGLN1CCNKCDK12PAK1
SCHEMBL4227787 0.89 CCNK (0.41) CCNKCDK12
SCHEMBL4227795 0.89 CCNK (0.41) CCNKCDK12
SCHEMBL4230161 0.89 CCNK (0.43) CCNKCDK12EPHX2

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-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 WO 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 L3MBTL1 979/4885KDM4E 200/4885ALDH1A1 1014/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 L3MBTL1 1285/4885KDM4E 195/4885ALDH1A1 739/4885

“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.