SCHEMBL17078843

SCHEMBL17078843

COC(=O)c1ccc(CN2C[C@@H](C)N(C(=O)c3cccc(-c4ccncc4)c3)[C@@H](C)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 1/20 0.45
▸ ROCK2 O75116 2/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ LSS P48449 2/20 0.44
▸ CHKA P35790 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ DGAT2 Q96PD7 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NEK1 Q96PY6 1/20 0.41
▸ WNK1 Q9H4A3 1/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 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
SCHEMBL17078944 0.91 SLC2A1 (0.48) SLC6A7NEK1ALDH1A1
SCHEMBL17078856 0.89 SLC6A7 (0.48) SLC6A7CHKAHDAC1HDAC6WNK1
SCHEMBL20421151 0.89 SLC6A7 (0.47) SLC6A7LSSAURKAHDAC1HDAC6
SCHEMBL17078750 0.89 HDAC6 (0.54) SLC6A7HDAC1HDAC6DRD2DRD4
SCHEMBL17078820 0.87 LSS (0.48) LSSCHKAMEN1ALDH1A1KMT2A
SCHEMBL17078592 0.85 HDAC1 (0.55) ROCK2ROCK1LSSCHKAHDAC1
SCHEMBL17078630 0.85 MAPK1 (0.40) SLC6A7ROCK2CHKAHDAC1HDAC6
SCHEMBL17078454 0.85 ROCK2 (0.44) ROCK2ROCK1LSSAURKADGAT2
SCHEMBL17078557 0.84 HDAC1 (0.54) SLC6A7HDAC1HDAC6MEN1ALDH1A1
SCHEMBL17078853 0.84 POLB (0.43) CHKADGAT2HDAC1HDAC6MEN1

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 SLC6A7 3566/4885ROCK2 2177/4885ROCK1 1463/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 SLC6A7 3774/4885ROCK2 2634/4885ROCK1 2192/4885

“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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