SCHEMBL17618079

SCHEMBL17618079

COC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2cccc(C)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
MGLL Q99685 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
AURKA O14965 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
SCHEMBL17618086 0.90 RAB9A (0.43) ALDH1A1HPGDSMN1; SMN2KDM4EGLA
SCHEMBL17618085 0.88 ALDH1A1 (0.43) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL16211435 0.87 HDAC1 (0.47) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL16211415 0.85 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL17618087 0.84 KMT2A (0.39) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL17618088 0.83 KDM4E (0.37) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL16211402 0.83 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL16211283 0.81 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL17618028 0.81 HDAC1 (0.49) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL17618030 0.80 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HPGDALOX15

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 MEN1 3934/4885KMT2A 86/4885ALDH1A1 1381/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 MEN1 3934/4885KMT2A 86/4885ALDH1A1 1381/4885

“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.