SCHEMBL5075670

SCHEMBL5075670

O=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@H]2Cc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.76
HDAC8 Q9BY41 15/20 0.76
HDAC2 Q92769 13/20 0.76
HDAC1 Q13547 5/20 0.49
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48

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
SCHEMBL5075672 1.00 HDAC6 (0.76) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL5082092 0.92 HDAC6 (0.83) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL5082166 0.87 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1
SCHEMBL5078399 0.87 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1
SCHEMBL5078396 0.87 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1
SCHEMBL5077641 0.85 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1
SCHEMBL5077642 0.85 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1
SCHEMBL5081593 0.84 HDAC6 (0.80) HDAC6HDAC8HDAC2HDAC1
SCHEMBL5081590 0.84 HDAC6 (0.80) HDAC6HDAC8HDAC2HDAC1
SCHEMBL5579314 0.84 HDAC6 (0.86) HDAC6HDAC8HDAC2HDAC1

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
CN-101296910-A Benzodiazepine and benzopiperazine analog inhibitors of histone deacetylase METHYLGENE INC (CA) 2008-10-29 CN claimed
EP-1940805-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-07-09 EP claimed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US claimed
WO-2007022638-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-03-01 WO claimed
US-8759400-B2 Histone deacetylase inhibitors for enhancing activity of antifungal agents METHYLGENE INC. (CA) 2014-06-24 US disclosed
US-8759400-B2 Histone deacetylase inhibitors for enhancing activity of antifungal agents METHYLGENE INC. (CA) 2014-06-24 US disclosed
CN-101296910-A Benzodiazepine and benzopiperazine analog inhibitors of histone deacetylase METHYLGENE INC (CA) 2008-10-29 CN disclosed
US-20070197550-A1 Histone deacetylase inhibitors for enhancing activity of antifungal agents 92229129 QUEBEC INC. (CA) 2007-08-23 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 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-20070197550-A1 Histone deacetylase inhibitors for enhancing activity of antifungal agents HDAC1, HDAC5, HDAC7 HDAC6 10/4885HDAC8 6/4885HDAC2 4/4885
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 HDAC6 24/4885HDAC8 9/4885HDAC2 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.