SCHEMBL17078615

SCHEMBL17078615

COC(=O)c1ccc(CN2[C@H](C)CN(C(=O)c3cccc(C4=CCC(C)(C)CC4)c3)C[C@@H]2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ CXCR3 P49682 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ DGAT2 Q96PD7 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SIRT1 Q96EB6 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
SCHEMBL20420907 0.91 MYC (0.37) KDM4EALDH1A1MAPTHDAC1HDAC6
SCHEMBL20432796 0.90 HDAC6 (0.49) HDAC1HDAC6
SCHEMBL17078942 0.90 HDAC6 (0.49) HDAC1HDAC6
SCHEMBL17078537 0.88 HDAC1 (0.38) KDM4ECYP3A4ALDH1A1MAPTHDAC1
SCHEMBL17078691 0.87 HDAC1 (0.49) KDM4ECYP3A4ALDH1A1MAPTHDAC1
SCHEMBL17078593 0.84 HDAC1 (0.43) KDM4ECYP3A4ALDH1A1MAPTHDAC1
SCHEMBL17078733 0.84 KDM4E (0.38) KDM4ECYP3A4ALDH1A1MAPTOPRD1
SCHEMBL17078778 0.84 BRD4 (0.40) KDM4ECYP3A4HDAC1HDAC6MEN1
SCHEMBL17078454 0.81 ROCK2 (0.44) HDAC1HDAC6OPRD1OPRK1MEN1
SCHEMBL17078444 0.79 HDAC1 (0.54) KDM4EALDH1A1MAPTHDAC1HDAC6

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 KDM4E 319/4885CYP3A4 4257/4885ALDH1A1 1133/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 KDM4E 468/4885CYP3A4 4637/4885ALDH1A1 806/4885

“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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