SCHEMBL18347205

SCHEMBL18347205

O=C(CCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 1.00
HDAC1 Q13547 3/20 1.00
HDAC3 O15379 2/20 1.00
HDAC7 Q8WUI4 2/20 1.00
HDAC2 Q92769 2/20 1.00
HDAC8 Q9BY41 2/20 1.00
HDAC4 P56524 1/20 0.82
HDAC10 Q969S8 1/20 0.82
HDAC5 Q9UQL6 1/20 0.82
NCOR2 Q9Y618 1/20 0.82

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
Citarinostat SCHEMBL29882816 1.00 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC7HDAC2
Citarinostat SCHEMBL2225863 1.00 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL17955695 0.91 HDAC6 (0.84) HDAC6HDAC1HDAC3HDAC7HDAC2
Ricolinostat SCHEMBL574580 0.91 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL21707466 0.90 HDAC6 (0.98) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL18347206 0.89 HDAC6 (0.80) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL15725419 0.89 HDAC6 (0.80) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL2226158 0.88 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL23289011 0.88 HDAC6 (0.78) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL16624608 0.87 HDAC6 (0.77) HDAC6HDAC1HDAC3HDAC7HDAC2

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-20160375021-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS, INC. 2016-12-29 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-20160375021-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC3 HDAC6 1/4885HDAC1 2/4885HDAC3 3/4885

“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.