SCHEMBL17618054

SCHEMBL17618054

COC(=O)c1ccc(CN(C(=O)N2CCN(CCN3CCOCC3)CC2)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MGLL Q99685 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
APAF1 O14727 1/20 0.42
MLYCD O95822 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL17618030 0.93 ALDH1A1 (0.52) SMN1; SMN2MAPK1L3MBTL1ALDH1A1HPGD
SCHEMBL17618056 0.91 ALDH1A1 (0.48) SMN1; SMN2MAPK1L3MBTL1ALDH1A1HPGD
SCHEMBL17618063 0.89 ALDH1A1 (0.48) SMN1; SMN2MAPK1ALDH1A1HPGDALOX15
SCHEMBL16211700 0.89 MLYCD (0.50) SMN1; SMN2MAPK1GAAMLYCD
SCHEMBL16211282 0.84 MAPK1 (0.57) SMN1; SMN2MAPK1ALDH1A1HPGDALOX15
SCHEMBL16211608 0.83 ALDH1A1 (0.54) SMN1; SMN2MAPK1L3MBTL1POLBALDH1A1
SCHEMBL20236729 0.83 ALDH1A1 (0.51) SMN1; SMN2MAPK1ALDH1A1HPGDALOX15
SCHEMBL17623818 0.83 ALDH1A1 (0.51) SMN1; SMN2MAPK1ALDH1A1HPGDALOX15
SCHEMBL17618071 0.83 KMT2A (0.54) SMN1; SMN2POLBALDH1A1HPGDALOX15
SCHEMBL16211283 0.83 ALDH1A1 (0.53) SMN1; SMN2MAPK1ALDH1A1HPGDALOX15

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-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 US 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-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 SMN1; SMN2 939/4885MAPK1 2028/4885L3MBTL1 4390/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 SMN1; SMN2 939/4885MAPK1 2028/4885L3MBTL1 4390/4885

“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.