SCHEMBL17078980

SCHEMBL17078980

COC(=O)/C=C/c1ccc(CN2C(C)CN(C(=O)OC(C)(C)C)CC2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC1 Q13547 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NR1H4 Q96RI1 4/20 0.41
GPR119 Q8TDV5 4/20 0.41
PTPN1 P18031 1/20 0.38
CSF1R P07333 1/20 0.38
NAMPT P43490 1/20 0.38
TTR P02766 1/20 0.37
APP P05067 1/20 0.37
ABCB1 P08183 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL17078984 1.00 KDM1A (0.45) KDM1AHDAC8HDAC6HDAC1CA12
SCHEMBL17078982 1.00 KDM1A (0.45) KDM1AHDAC8HDAC6HDAC1CA12
SCHEMBL17078985 1.00 KDM1A (0.45) KDM1AHDAC8HDAC6HDAC1CA12
SCHEMBL1486971 0.82 GPR183 (0.52) KDM1AHDAC8HDAC6HDAC1ABCB1
SCHEMBL1486969 0.82 GPR183 (0.52) KDM1AHDAC8HDAC6HDAC1ABCB1
SCHEMBL17086710 0.82 HDAC1 (0.53) HDAC6HDAC1GPR119NAMPTALDH1A1
SCHEMBL17086784 0.80 KMT2A (0.49) GPR119NAMPTMAPTTHRBL3MBTL1
SCHEMBL3151938 0.80 KMT2A (0.49) GPR119NAMPTMAPTTHRBL3MBTL1
SCHEMBL3151932 0.80 KMT2A (0.49) GPR119NAMPTMAPTTHRBL3MBTL1
SCHEMBL17078514 0.79 CA12 (0.50) KDM1AHDAC8HDAC6CA12CA1

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 KDM1A 48/4885HDAC8 11/4885HDAC6 1/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 KDM1A 82/4885HDAC8 10/4885HDAC6 1/4885

“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.