SCHEMBL17078736

SCHEMBL17078736

COC(=O)c1ccc(CN2[C@H](C)CN(C(=O)Cc3cccc(C4=CCOCC4)c3)C[C@@H]2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PIK3CD O00329 4/20 0.35
▸ PIK3R1 P27986 4/20 0.35
▸ PIK3CA P42336 4/20 0.35
▸ PIK3CB P42338 4/20 0.35
▸ PIK3CG P48736 4/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ FABP7 O15540 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL20421055 0.91 BRD4 (0.44) BRD4HDAC1HDAC6SMN1; SMN2TSHR
SCHEMBL17078850 0.90 HDAC6 (0.50) BRD4HDAC1HDAC6SMN1; SMN2TSHR
SCHEMBL17078561 0.89 HDAC1 (0.50) BRD4HDAC1HDAC6SMN1; SMN2PIK3CD
SCHEMBL20432852 0.89 BRD4 (0.43) BRD4HDAC1HDAC6SMN1; SMN2TSHR
SCHEMBL17078778 0.88 BRD4 (0.40) BRD4HDAC1HDAC6SMN1; SMN2PIK3CD
SCHEMBL17078537 0.84 HDAC1 (0.38) HDAC1HDAC6SMN1; SMN2TSHRSIRT1
SCHEMBL17078717 0.84 TSHR (0.47) HDAC1HDAC6SMN1; SMN2TSHRSIRT1
SCHEMBL17078756 0.82 MAPK1 (0.47) BRD4HDAC1HDAC6SMN1; SMN2TSHR
SCHEMBL17078684 0.81 ROCK2 (0.43) HDAC1HDAC6SMN1; SMN2TSHRMEN1
SCHEMBL17078459 0.80 HDAC1 (0.58) HDAC1HDAC6TSHRMEN1KMT2A

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 BRD4 105/4885HDAC1 2/4885HDAC6 1/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 BRD4 71/4885HDAC1 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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