SCHEMBL17078668

SCHEMBL17078668

COC(=O)c1ccc(CN2C[C@@H](C)N(Cc3cccc(-n4cccc4)c3)[C@@H](C)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CHKA P35790 1/20 0.40
▸ AOC2 O75106 1/20 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
SCHEMBL17078609 1.00 HDAC1 (0.57) HDAC1HDAC6CYP3A4CYP2D6CYP2C9
SCHEMBL20421077 0.89 HDAC1 (0.57) HDAC1HDAC6CYP2D6CYP2C9MEN1
SCHEMBL20421150 0.89 HDAC1 (0.57) HDAC1HDAC6CYP2D6CYP2C9MEN1
SCHEMBL17078774 0.88 HDAC1 (0.74) HDAC1HDAC6MCHR1AOC2
SCHEMBL17078919 0.88 HDAC1 (0.74) HDAC1HDAC6MCHR1AOC2
SCHEMBL20432825 0.88 HDAC1 (0.74) HDAC1HDAC6MCHR1AOC2
SCHEMBL17078963 0.85 HDAC1 (0.77) HDAC1HDAC6CYP3A4CYP2D6CYP2C9
SCHEMBL17078685 0.85 HDAC1 (0.58) HDAC1HDAC6ALDH1A1MEN1KMT2A
SCHEMBL17078776 0.85 HDAC1 (0.58) HDAC1HDAC6ALDH1A1MEN1KMT2A
SCHEMBL17086785 0.85 HDAC1 (0.58) HDAC1HDAC6ALDH1A1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2019-05-14 — — US disclosed
EP-3116859-B1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-08-01 — — EP disclosed
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-06 — — US disclosed
EP-3116859-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2017-01-18 — — EP disclosed
WO-2015137750-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-17 — — 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-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same HDAC6, HDAC1, HDAC11 HDAC1 2/4885HDAC6 1/4885CYP3A4 4257/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 HDAC1 2/4885HDAC6 1/4885CYP3A4 4637/4885

“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.

Send feedback