SCHEMBL15725410

SCHEMBL15725410

CNC(=O)CCCCCCNC(=O)c1ccc(Nc2nc3ccccc3o2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.83
▸ HDAC3 O15379 5/20 0.49
▸ HDAC1 Q13547 5/20 0.49
▸ HDAC2 Q92769 4/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ IL6 P05231 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ CASP1 P29466 2/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ HDAC7 Q8WUI4 2/20 0.45
▸ HDAC10 Q969S8 2/20 0.45
▸ HDAC11 Q96DB2 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC9 Q9UKV0 2/20 0.45

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
SCHEMBL2228107 0.91 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL15725414 0.80 HDAC6 (0.86) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL15725415 0.80 HDAC6 (0.79) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL15725468 0.78 HDAC6 (0.83) HDAC6HDAC3HDAC1HDAC2NPC1
SCHEMBL15725465 0.78 HDAC6 (0.85) HDAC6HDAC3HDAC1HDAC2NPC1
SCHEMBL10447762 0.75 HDAC3 (0.82) HDAC6HDAC3HDAC1HDAC2NPC1
SCHEMBL24653262 0.75 HDAC1 (0.75) HDAC6HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL20684933 0.75 HDAC1 (0.75) HDAC6HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL15725461 0.74 HDAC6 (0.83) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL13058942 0.74 NPC1 (0.65) HDAC6HDAC3HDAC1NPC1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142117-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS, INC. 2014-05-22 — — 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 (1 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-20140142117-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC3 HDAC6 1/4885HDAC3 3/4885HDAC1 2/4885

“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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