SCHEMBL17618087

SCHEMBL17618087

COC(=O)c1ccc(CN(C(=O)N2CC(C)OC(C)C2)c2cccc(C)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SIRT1 Q96EB6 1/20 0.37
AURKA O14965 1/20 0.36
AVPR1B P47901 1/20 0.36
HSD11B1 P28845 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 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
SCHEMBL16211517 0.87 ALDH1A1 (0.43) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL16211476 0.85 ALDH1A1 (0.51) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL16211704 0.85 ALDH1A1 (0.46) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL17618079 0.84 MEN1 (0.47) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL17618086 0.84 RAB9A (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL17618088 0.84 KDM4E (0.37) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL17618085 0.82 ALDH1A1 (0.43) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL22218651 0.82 ALDH1A1 (0.45) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL17618032 0.82 RAB9A (0.46) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL17618081 0.79 KDM4E (0.43) KMT2AALDH1A1KDM4EMEN1HTT

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

“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.