SCHEMBL17078543

SCHEMBL17078543

COC(=O)c1ccc(CN2[C@H](C)CN(C(=O)Nc3ccc(OC)cc3)C[C@@H]2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 8/20 0.52
▸ MAPT P10636 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ FAAH O00519 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PRKAB2 O43741 1/20 0.49
▸ PRKAG1 P54619 1/20 0.49
▸ PRKAA2 P54646 1/20 0.49
▸ PRKAA1 Q13131 1/20 0.49
▸ PRKAG3 Q9UGI9 1/20 0.49
▸ PRKAG2 Q9UGJ0 1/20 0.49
▸ PRKAB1 Q9Y478 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NAMPT P43490 2/20 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
SCHEMBL20433084 0.90 GRIN2B (0.50) GRIN2BMAPTMEN1KMT2AFAAH
SCHEMBL17078858 0.89 HDAC6 (0.54) GRIN2BMAPTKMT2AFAAHPRKAB2
SCHEMBL17078965 0.89 GRIN2B (0.57) GRIN2BMAPTMEN1KMT2AFAAH
SCHEMBL20421205 0.88 GRIN2B (0.65) GRIN2BMAPTMEN1KMT2AFAAH
SCHEMBL17078548 0.88 GRIN2B (0.56) GRIN2BMAPTKDM4EMEN1KMT2A
SCHEMBL17078511 0.82 HDAC1 (0.52) GRIN2BMAPTKDM4EMEN1KMT2A
SCHEMBL17078679 0.82 SMN1; SMN2 (0.52) GRIN2BMAPTKDM4EFAAHSMN1; SMN2
SCHEMBL17078869 0.81 GRIN2B (0.54) GRIN2BKDM4EMEN1KMT2AFAAH
SCHEMBL17078536 0.80 EPHX2 (0.49) GRIN2BMAPTFAAH
SCHEMBL17078608 0.80 MEN1 (0.47) MAPTKDM4EMEN1KMT2ALMNA

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 284/4885MAPT 369/4885KDM4E 319/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 GRIN2B 363/4885MAPT 126/4885KDM4E 468/4885

“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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