SCHEMBL17078869

SCHEMBL17078869

COC(=O)c1ccc(CN2[C@H](C)CN(C(=O)Nc3ccccc3OC)C[C@@H]2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.54
▸ PKM P14618 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ FAAH O00519 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 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
SCHEMBL20421094 0.90 GRIN2B (0.65) GRIN2BPKMMAPK1KDM4ETDP1
SCHEMBL17078646 0.90 HDAC1 (0.55) GRIN2BPKMMAPK1KDM4ETDP1
SCHEMBL17078896 0.88 GRIN2B (0.49) GRIN2BSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL17078965 0.85 GRIN2B (0.57) GRIN2BMAPK1SMN1; SMN2FAAHMEN1
SCHEMBL17078548 0.82 GRIN2B (0.56) GRIN2BMAPK1KDM4ESMN1; SMN2FAAH
SCHEMBL17078543 0.81 GRIN2B (0.52) GRIN2BKDM4ESMN1; SMN2FAAHMEN1
SCHEMBL17078692 0.80 CA1 (0.47) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL17078801 0.79 OPRD1 (0.48) MEN1KMT2AALDH1A1
SCHEMBL17078511 0.78 HDAC1 (0.52) GRIN2BKDM4ESMN1; SMN2FAAHMEN1
SCHEMBL17078679 0.78 SMN1; SMN2 (0.52) GRIN2BMAPK1KDM4ESMN1; SMN2FAAH

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 284/4885PKM 1448/4885MAPK1 2398/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 GRIN2B 363/4885PKM 1955/4885MAPK1 2326/4885

“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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