SCHEMBL5075693

SCHEMBL5075693

O=C(NO)c1cccc(N2c3ccccc3NC(=O)C2Cc2ccc(F)c(F)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.69
HDAC8 Q9BY41 12/20 0.69
HDAC2 Q92769 11/20 0.69
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 1/20 0.36

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
SCHEMBL5075697 1.00 HDAC6 (0.69) HDAC6HDAC8HDAC2MEN1KMT2A
SCHEMBL5082209 0.90 HDAC6 (0.78) HDAC6HDAC8HDAC2HDAC1
SCHEMBL5082202 0.90 HDAC6 (0.78) HDAC6HDAC8HDAC2HDAC1
SCHEMBL5137445 0.83 HDAC2 (0.64) HDAC6HDAC8HDAC2MEN1KMT2A
SCHEMBL5077642 0.82 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1
SCHEMBL5077641 0.82 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1
SCHEMBL5075674 0.79 HDAC2 (0.71) HDAC6HDAC8HDAC2MEN1KMT2A
SCHEMBL5075673 0.79 HDAC2 (0.71) HDAC6HDAC8HDAC2MEN1KMT2A
SCHEMBL5078977 0.74 HDAC2 (0.79) HDAC6HDAC8HDAC2MEN1KMT2A
SCHEMBL5138877 0.74 HDAC2 (0.79) HDAC6HDAC8HDAC2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1940805-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-07-09 EP disclosed
WO-2007022638-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-03-01 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-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.