SCHEMBL18711183

SCHEMBL18711183

C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C)N1Cc1ccc(C(=O)NO)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.50
▸ HDAC6 Q9UBN7 10/20 0.50
▸ NPC1 O15118 7/20 0.47
▸ RAB9A P51151 7/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ NFKB1 P19838 4/20 0.47
▸ NFKB2 Q00653 4/20 0.47
▸ RELA Q04206 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 4/20 0.45
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ HDAC8 Q9BY41 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
SCHEMBL17079066 0.85 HDAC1 (0.47) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL20432716 0.85 HDAC1 (0.47) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL20432735 0.82 HDAC1 (0.59) HDAC1HDAC6FAAHHDAC8
SCHEMBL17078474 0.82 HDAC1 (0.59) HDAC1HDAC6FAAHHDAC8
SCHEMBL17078700 0.82 HDAC1 (0.57) HDAC1HDAC6RAB9ASMN1; SMN2MAPT
SCHEMBL20432784 0.82 HDAC1 (0.68) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL20432713 0.82 HDAC1 (0.57) HDAC1HDAC6RAB9ASMN1; SMN2MAPT
SCHEMBL17079056 0.82 HDAC1 (0.68) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL17078858 0.81 HDAC6 (0.54) HDAC1HDAC6MAPTFAAHPKM
SCHEMBL17078797 0.80 HDAC6 (0.48) HDAC1HDAC6FAAHHDAC8

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 HDAC1 2/4885HDAC6 1/4885NPC1 1220/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 HDAC1 2/4885HDAC6 1/4885NPC1 1123/4885

“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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