SCHEMBL17078692

SCHEMBL17078692

COC(=O)c1ccc(CN2[C@H](C)CN(C(=O)NCc3ccccc3)C[C@@H]2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CACNA1G O43497 7/20 0.47
▸ CACNA1H O95180 7/20 0.47
▸ CACNA1I Q9P0X4 7/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL20420898 0.90 CACNA1G (0.48) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL17078837 0.88 LMNA (0.49) ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL17078707 0.88 DPP4 (0.48) CACNA1GCACNA1HCACNA1ISMN1; SMN2MAPT
SCHEMBL20432638 0.87 HDAC6 (0.58) MEN1KMT2APOLB
SCHEMBL17078604 0.87 HDAC6 (0.58) MEN1KMT2APOLB
SCHEMBL17078965 0.85 GRIN2B (0.57) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL17078739 0.85 MEN1 (0.48) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL18701038 0.84 ALDH1A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL17078801 0.84 OPRD1 (0.48) MEN1KMT2AALDH1A1
SCHEMBL17086785 0.83 HDAC1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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 CA1 661/4885CA2 1790/4885CACNA1G 2884/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 CA1 437/4885CA2 1695/4885CACNA1G 3751/4885

“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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