SCHEMBL17078540

SCHEMBL17078540

C[C@@H]1CN(Cc2ccc(C(=O)NO)cc2)C[C@H](C)N1Cc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.66
▸ HDAC1 Q13547 3/20 0.66
▸ NPC1 O15118 4/20 0.58
▸ HIF1A Q16665 4/20 0.57
▸ EPAS1 Q99814 4/20 0.57
▸ HDAC8 Q9BY41 1/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ KMT2A Q03164 2/20 0.55
▸ HDAC4 P56524 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53

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
SCHEMBL17078582 0.94 HDAC1 (0.74) HDAC6HDAC1NPC1HIF1AEPAS1
SCHEMBL20433138 0.92 HDAC1 (0.59) HDAC6HDAC1NPC1HIF1AEPAS1
SCHEMBL17078715 0.92 HDAC1 (0.59) HDAC6HDAC1NPC1HIF1AEPAS1
SCHEMBL17078844 0.89 HDAC1 (0.72) HDAC6HDAC1HDAC8KDM4EHDAC4
SCHEMBL20432905 0.89 HDAC1 (0.72) HDAC6HDAC1HDAC8KDM4EHDAC4
SCHEMBL17078846 0.89 NPC1 (0.56) HDAC6HDAC1NPC1HIF1AEPAS1
SCHEMBL20432675 0.89 NPC1 (0.56) HDAC6HDAC1NPC1HIF1AEPAS1
SCHEMBL17078724 0.88 HDAC1 (0.71) HDAC6HDAC1HDAC8KDM4EHDAC4
SCHEMBL17078877 0.87 HDAC6 (0.74) HDAC6HDAC1HIF1AEPAS1HDAC8
SCHEMBL17079020 0.87 HDAC6 (0.76) HDAC6HDAC1HDAC8HDAC4KCNH2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220008414-A1 PHARMACEUTICAL COMPOSITION COMPRISING HISTONE DEACETYLASE 6 INHIBITORS CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2022-01-13 — — US claimed
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 claimed
US-20220008414-A1 PHARMACEUTICAL COMPOSITION COMPRISING HISTONE DEACETYLASE 6 INHIBITORS CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2022-01-13 — — US disclosed
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
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
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
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
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 (3 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 HDAC6 1/4885HDAC1 2/4885NPC1 1220/4885
US-20220008414-A1 PHARMACEUTICAL COMPOSITION COMPRISING HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 HDAC6 1/4885HDAC1 2/4885NPC1 104/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885NPC1 1123/4885

“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.

Send feedback