SCHEMBL4536216

SCHEMBL4536216

O=C(NO)C(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 1.00
HDAC7 Q8WUI4 5/20 1.00
HDAC5 Q9UQL6 5/20 1.00
HDAC1 Q13547 4/20 0.61
HDAC6 Q9UBN7 4/20 0.61
HDAC3 O15379 3/20 0.61
HDAC2 Q92769 3/20 0.61
HDAC10 Q969S8 3/20 0.61
HDAC11 Q96DB2 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
HDAC9 Q9UKV0 3/20 0.61
CES2 O00748 2/20 0.49
CES1 P23141 2/20 0.49
CNR2 P34972 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ANPEP P15144 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
SCHEMBL20490635 0.86 HDAC4 (0.74) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL4540010 0.85 HDAC4 (0.73) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL2847290 0.82 HDAC4 (0.68) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL2839652 0.82 HDAC4 (0.68) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL20490631 0.81 HDAC4 (0.68) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL2841130 0.80 HDAC4 (0.64) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL27798482 0.79 HDAC4 (0.63) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL20490608 0.78 HDAC4 (0.63) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL4539938 0.78 HDAC4 (0.66) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL5744300 0.78 HDAC4 (0.64) HDAC4HDAC7HDAC5HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 HDAC4 10/4885HDAC7 7/4885HDAC5 4/4885

“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.