SCHEMBL17078853

SCHEMBL17078853

COC(=O)c1ccc(CN2C[C@@H](C)N(C(=O)c3cccc(-c4ccccc4Cl)c3)[C@@H](C)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CHKA P35790 1/20 0.39
▸ DGAT2 Q96PD7 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GHSR Q92847 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38

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
SCHEMBL17078856 0.87 SLC6A7 (0.48) HDAC1HDAC6KDM4EMAPTCHKA
SCHEMBL17078557 0.85 HDAC1 (0.54) POLBHDAC1HDAC6ALDH1A1KMT2A
SCHEMBL17078843 0.84 SLC6A7 (0.45) HDAC1HDAC6ALDH1A1KMT2AMEN1
SCHEMBL17078453 0.84 MEN1 (0.53) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL17078702 0.82 RHOA (0.43) POLBHDAC1HDAC6ALDH1A1KMT2A
SCHEMBL17078944 0.82 SLC2A1 (0.48) ALDH1A1
SCHEMBL17078630 0.82 MAPK1 (0.40) HDAC1HDAC6ALDH1A1KMT2AMEN1
SCHEMBL17078725 0.82 HDAC1 (0.44) HDAC1HDAC6ALDH1A1KMT2AMEN1
SCHEMBL17078524 0.82 HDAC1 (0.46) HDAC1HDAC6ALDH1A1KMT2AMEN1
SCHEMBL17078622 0.82 POLB (0.48) POLBHDAC1HDAC6ALDH1A1KMT2A

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 POLB 848/4885HDAC1 2/4885HDAC6 1/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 POLB 1369/4885HDAC1 2/4885HDAC6 1/4885

“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.

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