SCHEMBL4533774

SCHEMBL4533774

O=C(NO)C(Oc1ccccn1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
MMP8 P22894 1/20 0.40

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
SCHEMBL4611560 0.84 PPARA (0.43) GAAPOLBSMN1; SMN2KDM4ELMNA
SCHEMBL21881598 0.84 PPARA (0.43) GAAPOLBSMN1; SMN2KDM4ELMNA
SCHEMBL4537890 0.82 CRHR1 (0.42) HDAC7HDAC1HDAC8HDAC6HDAC4
SCHEMBL4539717 0.80 PKM (0.44) HDAC7HDAC1HDAC8HDAC6HDAC4
SCHEMBL10878780 0.80 ALDH1A1 (0.51) POLBSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2844450 0.77 HDAC7 (0.55) HDAC7HDAC1HDAC8HDAC6HDAC4
SCHEMBL4535634 0.75 POLB (0.52) HDAC6POLBSMN1; SMN2KDM4ELMNA
SCHEMBL15756736 0.75 SMN1; SMN2 (0.41) GAASMN1; SMN2KDM4ELMNAHTT
SCHEMBL2844443 0.72 CYP1A2 (0.50) HDAC7HDAC1HDAC8HDAC6HDAC4
SCHEMBL6824596 0.72 SLC6A2 (0.42) GAAPOLBSMN1; SMN2KDM4ELMNA

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 7 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
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO 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 HDAC7 7/4885HDAC1 1/4885HDAC8 11/4885

“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.