SCHEMBL17078997

SCHEMBL17078997

COC(=O)c1ccc(CN2C[C@@H](C)N(C(=O)Cc3cccc(F)c3)[C@@H](C)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.47
▸ MAOB P27338 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MLNR O43193 4/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL17078815 0.89 HDAC1 (0.58) SIGMAR1PTGDR2HDAC1HDAC6KMT2A
SCHEMBL20420992 0.89 SIGMAR1 (0.47) SIGMAR1MAOBPTGDR2HDAC1HDAC6
SCHEMBL17078964 0.88 HDAC1 (0.59) SIGMAR1MAOBPTGDR2HDAC1HDAC6
SCHEMBL17078695 0.87 S1PR5 (0.50) SIGMAR1KMT2AMEN1ALDH1A1MLNR
SCHEMBL17078867 0.87 PTGDR2 (0.54) PTGDR2KMT2AMEN1ALDH1A1NPC1
SCHEMBL17078458 0.87 PTGDR2 (0.48) PTGDR2HDAC1HDAC6KMT2AMEN1
SCHEMBL17078842 0.86 HDAC1 (0.60) SIGMAR1MAOBHDAC1HDAC6KMT2A
SCHEMBL20432803 0.86 SIGMAR1 (0.48) SIGMAR1MAOBPTGDR2KMT2AALDH1A1
SCHEMBL17078605 0.86 CACNA1G (0.46) MAOBHDAC1HDAC6KMT2AMEN1
SCHEMBL17078484 0.80 KDM4E (0.52) KMT2AMEN1ALDH1A1MAPTRAB9A

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 5 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
EP-3116859-B1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-08-01 — — EP 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 SIGMAR1 2270/4885MAOB 784/4885PTGDR2 4447/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 SIGMAR1 3898/4885MAOB 1810/4885PTGDR2 4775/4885

“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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