SCHEMBL18711206

SCHEMBL18711206

COc1ccccc1NC(=O)N1C[C@H](C)N(Cc2ccc(C(=O)NO)cc2)C[C@@H]1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.53
▸ HDAC1 Q13547 12/20 0.53
▸ HDAC11 Q96DB2 2/20 0.53
▸ HDAC8 Q9BY41 5/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ MAPK14 Q16539 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRK1 P41145 1/20 0.43

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
SCHEMBL18711180 0.84 PDK1 (0.48) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL17078646 0.82 HDAC1 (0.55) HDAC6HDAC1HDAC11HDAC8HDAC3
SCHEMBL17078869 0.74 GRIN2B (0.54) MEN1ALDH1A1KMT2AFAAH
SCHEMBL17086798 0.73 SMN1; SMN2 (0.54) HDAC6HDAC1HDAC11HDAC8HDAC3
SCHEMBL15289681 0.70 HDAC1 (1.00) HDAC6HDAC1HDAC11HDAC8HDAC3
SCHEMBL20421094 0.70 GRIN2B (0.65) MEN1ALDH1A1KMT2AFAAHOPRK1
SCHEMBL20304754 0.70 PDK1 (0.50) MAPK14MEN1KMT2A
SCHEMBL30690059 0.69 HDAC6 (0.73) HDAC6HDAC1HDAC11HDAC8HDAC3
SCHEMBL28887376 0.69 MAPT (0.62) HDAC6HDAC1HDAC11HDAC8HDAC3
SCHEMBL5063853 0.69 CCR1 (0.62) ALDH1A1

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 2 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

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 HDAC6 1/4885HDAC1 2/4885HDAC11 3/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC11 5/4885

“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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