SCHEMBL17078652

SCHEMBL17078652

COC(=O)c1ccc(CN2[C@H](C)CN(Cc3cccc(CN4CCCC4)c3)C[C@@H]2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60
▸ CHKA P35790 1/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ FAAH O00519 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HIF1A Q16665 1/20 0.45

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
SCHEMBL17078456 1.00 HDAC1 (0.60) HDAC1HDAC6CHKACYP2D6CYP2C9
SCHEMBL17078544 0.99 HDAC1 (0.59) HDAC1HDAC6CHKACYP2D6CYP2C9
SCHEMBL17078610 0.94 HDAC1 (0.60) HDAC1HDAC6CHKACYP2D6CYP2C9
SCHEMBL17078627 0.93 CHKA (0.58) HDAC1HDAC6CHKAALDH1A1MEN1
SCHEMBL17078509 0.92 CHKA (0.57) HDAC1HDAC6CHKAALDH1A1MEN1
SCHEMBL17078773 0.92 CHKA (0.58) HDAC1HDAC6CHKACYP2D6CYP2C9
SCHEMBL17078884 0.92 HDAC1 (0.58) HDAC1HDAC6CHKACYP2D6CYP2C9
SCHEMBL17078770 0.92 CHKA (0.58) HDAC1HDAC6CHKACYP2D6CYP2C9
SCHEMBL17078921 0.91 SMN1; SMN2 (0.61) HDAC1HDAC6CYP2D6CYP2C9CYP3A4
SCHEMBL17078746 0.91 HDAC1 (0.57) HDAC1HDAC6CHKACYP2D6CYP2C9

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 4 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
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 1/4885CHKA 1227/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 HDAC1 2/4885HDAC6 1/4885CHKA 636/4885

“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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