SCHEMBL17618081

SCHEMBL17618081

COC(=O)c1ccc(CN(C(=O)N2CC(C)OC(C)C2)c2cccc(OC)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.41
OPRD1 P41143 1/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
GRIN2B Q13224 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
F2 P00734 3/20 0.40

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
SCHEMBL16212015 0.91 NR1H4 (0.44) KDM4EKMT2AALDH1A1MEN1HTT
SCHEMBL25980117 0.91 HDAC1 (0.47) KDM4EKMT2AALDH1A1MEN1HTT
SCHEMBL17618032 0.89 RAB9A (0.46) KDM4EKMT2AALDH1A1MEN1HTT
SCHEMBL22218651 0.88 ALDH1A1 (0.45) KDM4EKMT2AALDH1A1MEN1HTT
SCHEMBL16211649 0.86 SMN1; SMN2 (0.50) KMT2AALDH1A1NPC1POLBLMNA
SCHEMBL16211437 0.84 L3MBTL1 (0.50) KMT2AALDH1A1MEN1HTTNPC1
SCHEMBL20236562 0.83 NPC1 (0.45) KDM4EKMT2AALDH1A1MEN1NPC1
SCHEMBL16211704 0.83 ALDH1A1 (0.46) KDM4EKMT2AALDH1A1MEN1HTT
SCHEMBL20236494 0.82 LMNA (0.46) KDM4EKMT2AALDH1A1MEN1NPC1
SCHEMBL28627937 0.82 LMNA (0.43) KDM4EKMT2AALDH1A1MEN1NPC1

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 KDM4E 161/4885KMT2A 86/4885ALDH1A1 1381/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 KDM4E 161/4885KMT2A 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.