SCHEMBL17078592

SCHEMBL17078592

COC(=O)c1ccc(CN2C[C@@H](C)N(Cc3cccc(-c4ccncc4)c3)[C@@H](C)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CHKA P35790 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ LSS P48449 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ HIF1A Q16665 4/20 0.42
▸ EPAS1 Q99814 4/20 0.42
▸ CHRM4 P08173 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL17078745 0.90 HDAC1 (0.53) HDAC1HDAC6CYP3A4CYP2D6CYP2C9
SCHEMBL20421100 0.89 HDAC1 (0.55) HDAC1HDAC6CYP3A4CYP2C9KMT2A
SCHEMBL17078973 0.88 HDAC6 (0.71) HDAC1HDAC6HIF1AEPAS1
SCHEMBL20432679 0.88 HDAC6 (0.71) HDAC1HDAC6HIF1AEPAS1
SCHEMBL17078684 0.88 ROCK2 (0.43) HDAC1HDAC6ROCK2ROCK1CYP3A4
SCHEMBL17078714 0.88 HDAC1 (0.51) HDAC1HDAC6CHKAKMT2AMEN1
SCHEMBL17078454 0.85 ROCK2 (0.44) HDAC1HDAC6ROCK2ROCK1KMT2A
SCHEMBL17078843 0.85 SLC6A7 (0.45) HDAC1HDAC6ROCK2ROCK1CHKA
SCHEMBL17078662 0.85 HDAC6 (0.53) HDAC1HDAC6CYP3A4CYP2D6CYP2C9
SCHEMBL17078862 0.85 HDAC6 (0.53) HDAC1HDAC6CYP3A4CYP2D6CYP2C9

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 1/4885ROCK2 2177/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 HDAC1 2/4885HDAC6 1/4885ROCK2 2634/4885

“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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