SCHEMBL17078906

SCHEMBL17078906

COC(=O)c1ccc(CN2C[C@@H](C)N(C(=O)CCc3ccccc3)[C@@H](C)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ S1PR1 P21453 1/20 0.47
▸ S1PR5 Q9H228 1/20 0.47
▸ CHRM4 P08173 1/20 0.45
▸ CACNA1G O43497 1/20 0.45
▸ CACNA1H O95180 1/20 0.45
▸ CACNA1I Q9P0X4 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL17078867 0.89 PTGDR2 (0.54) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL20421018 0.89 S1PR5 (0.51) ALDH1A1S1PR1S1PR5CACNA1GCACNA1H
SCHEMBL20432794 0.87 HDAC1 (0.58) ALDH1A1S1PR1S1PR5
SCHEMBL17078907 0.87 HDAC1 (0.58) ALDH1A1S1PR1S1PR5
SCHEMBL17078761 0.86 KDM4E (0.50) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL17078793 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL17078453 0.84 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL17086785 0.83 HDAC1 (0.58) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL17078776 0.83 HDAC1 (0.58) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL17078484 0.83 KDM4E (0.52) MEN1KMT2AALDH1A1MAPTL3MBTL1

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 MEN1 2537/4885KMT2A 43/4885ALDH1A1 1133/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 MEN1 3278/4885KMT2A 55/4885ALDH1A1 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.

Send feedback