SCHEMBL975467

SCHEMBL975467

O=C(NO)c1ccc(CN2C(=O)c3ccccc3Oc3ccccc32)cc1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC7 Q8WUI4 15/20 0.72
▸ HDAC1 Q13547 10/20 0.72
▸ HDAC6 Q9UBN7 8/20 0.72
▸ HDAC4 P56524 7/20 0.72
▸ HDAC8 Q9BY41 7/20 0.72
▸ HDAC9 Q9UKV0 7/20 0.72
▸ HDAC5 Q9UQL6 7/20 0.72
▸ HDAC3 O15379 5/20 0.49
▸ HDAC2 Q92769 4/20 0.49
▸ HDAC10 Q969S8 4/20 0.49
▸ HDAC11 Q96DB2 4/20 0.49
▸ TUBB4A P04350 3/20 0.49
▸ TUBB P07437 3/20 0.49
▸ TUBA3C P0DPH7 3/20 0.49
▸ TUBA1B P68363 3/20 0.49
▸ TUBA4A P68366 3/20 0.49
▸ TUBB4B P68371 3/20 0.49
▸ TUBB3 Q13509 3/20 0.49
▸ TUBB2A Q13885 3/20 0.49
▸ TUBB8 Q3ZCM7 3/20 0.49

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
SCHEMBL24577976 0.85 HDAC7 (1.00) HDAC7HDAC1HDAC6HDAC4HDAC8
SCHEMBL1364992 0.82 HDAC1 (0.68) HDAC7HDAC1HDAC6HDAC4HDAC8
SCHEMBL13845079 0.81 HDAC7 (0.62) HDAC7HDAC1HDAC6HDAC4HDAC8
SCHEMBL2144050 0.77 HDAC6 (0.61) HDAC7HDAC1HDAC6HDAC4HDAC8
SCHEMBL1366788 0.75 HDAC6 (0.65) HDAC7HDAC1HDAC6HDAC4HDAC8
SCHEMBL1367537 0.74 HDAC6 (0.57) HDAC7HDAC1HDAC6HDAC4HDAC8
SCHEMBL2143865 0.74 HDAC6 (0.57) HDAC7HDAC1HDAC6HDAC4HDAC8
SCHEMBL1367767 0.73 HDAC6 (0.48) HDAC7HDAC1HDAC6HDAC4HDAC8
SCHEMBL1367769 0.73 HDAC6 (0.48) HDAC7HDAC1HDAC6HDAC4HDAC8
SCHEMBL11753061 0.73 CES1 (0.66) HDAC7HDAC1HDAC6HDAC4HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — 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 (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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC7 7/4885HDAC1 1/4885HDAC6 10/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC7 7/4885HDAC1 1/4885HDAC6 10/4885

“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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