SCHEMBL17078630

SCHEMBL17078630

COC(=O)c1ccc(CN2C[C@@H](C)N(C(=O)c3cccc(-c4ccoc4)c3)[C@@H](C)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ SLC6A7 Q99884 1/20 0.39
▸ CHKA P35790 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ WNK1 Q9H4A3 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ PTGER2 P43116 1/20 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
SCHEMBL17078490 0.90 SLC6A7 (0.41) MAPK1SMN1; SMN2HDAC1HDAC6SLC6A7
SCHEMBL17078957 0.89 HDAC6 (0.52) HDAC1HDAC6SLC6A7
SCHEMBL17078862 0.86 HDAC6 (0.53) MAPK1SMN1; SMN2HDAC1HDAC6CHKA
SCHEMBL17078662 0.86 HDAC6 (0.53) MAPK1SMN1; SMN2HDAC1HDAC6CHKA
SCHEMBL17078856 0.86 SLC6A7 (0.48) HDAC1HDAC6SLC6A7CHKAKDM4E
SCHEMBL17078675 0.85 HDAC1 (0.39) SMN1; SMN2HDAC1HDAC6MEN1KMT2A
SCHEMBL17078702 0.85 RHOA (0.43) MAPK1SMN1; SMN2HDAC1HDAC6CHKA
SCHEMBL17078843 0.85 SLC6A7 (0.45) HDAC1HDAC6SLC6A7CHKAMEN1
SCHEMBL17078467 0.83 CHKA (0.41) MAPK1SMN1; SMN2CHKAMEN1KMT2A
SCHEMBL17078944 0.83 SLC2A1 (0.48) SLC6A7ALDH1A1

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 MAPK1 2398/4885SMN1; SMN2 497/4885HDAC1 2/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 MAPK1 2326/4885SMN1; SMN2 577/4885HDAC1 2/4885

“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