SCHEMBL1365585

SCHEMBL1365585

O=C(NO)c1cnc(N2C[C@@]3(C4CCOCC4)C[C@H]2CN3C(=O)O)nc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.46
HDAC3 O15379 18/20 0.46
HDAC1 Q13547 18/20 0.46
HDAC2 Q92769 18/20 0.46
HDAC4 P56524 11/20 0.38
HDAC7 Q8WUI4 11/20 0.38
HDAC10 Q969S8 11/20 0.38
HDAC11 Q96DB2 11/20 0.38
HDAC8 Q9BY41 11/20 0.38
HDAC9 Q9UKV0 11/20 0.38
HDAC5 Q9UQL6 11/20 0.38
KDM1A O60341 1/20 0.34

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
SCHEMBL2143881 0.76 HDAC3 (0.40) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL2144010 0.73 HDAC3 (0.48) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL1367543 0.72 HDAC6 (0.41) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL4076375 0.69 HDAC6 (0.41) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL2145828 0.69 HDAC1 (0.45) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL16566459 0.68 HDAC6 (0.41) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL1366166 0.65 HDAC1 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL1365588 0.65 HDAC1 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL1366165 0.65 HDAC1 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL1366117 0.65 HDAC1 (0.45) HDAC6HDAC3HDAC1HDAC2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-11-24 US disclosed
EP-2343286-A1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase Methylgene, Inc. (CA) 2011-07-13 EP 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-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 HDAC6 9/4885HDAC3 14/4885HDAC1 1/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 HDAC6 9/4885HDAC3 14/4885HDAC1 1/4885

“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.