SCHEMBL17078548

SCHEMBL17078548

COC(=O)c1ccc(CN2[C@H](C)CN(C(=O)Nc3cccc(OC)c3)C[C@@H]2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 10/20 0.56
▸ HTT P42858 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ FAAH O00519 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TP53 P04637 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CCR3 P51677 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL20432848 0.90 HDAC1 (0.54) GRIN2BHTTALDH1A1GAAMAPK1
SCHEMBL17079073 0.90 HDAC1 (0.54) GRIN2BHTTALDH1A1GAAMAPK1
SCHEMBL20421019 0.90 GRIN2B (0.67) GRIN2BHTTALDH1A1GAAMAPK1
SCHEMBL17078511 0.89 HDAC1 (0.52) GRIN2BALDH1A1GAANPC1RAB9A
SCHEMBL17078679 0.89 SMN1; SMN2 (0.52) GRIN2BALDH1A1GAAMAPK1GFER
SCHEMBL17078543 0.88 GRIN2B (0.52) GRIN2BFAAHMAPTMEN1KMT2A
SCHEMBL17078965 0.87 GRIN2B (0.57) GRIN2BALDH1A1MAPK1NPC1RAB9A
SCHEMBL17078525 0.85 GRIN2B (0.43) GRIN2BALDH1A1GAAMAPK1GFER
SCHEMBL17078837 0.85 LMNA (0.49) GRIN2BHTTALDH1A1GAAMAPT
SCHEMBL17078869 0.82 GRIN2B (0.54) GRIN2BALDH1A1GAAMAPK1FAAH

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 GRIN2B 284/4885HTT 71/4885ALDH1A1 1133/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 GRIN2B 363/4885HTT 45/4885ALDH1A1 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.

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