SCHEMBL976287

SCHEMBL976287

O=C(NO)c1cc(-c2cccc(Br)c2)n(Cc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.56
▸ SMPD1 P17405 4/20 0.55
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HDAC6 Q9UBN7 8/20 0.47
▸ HDAC1 Q13547 6/20 0.46
▸ MARS1 P56192 1/20 0.46
▸ HDAC3 O15379 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL15579547 0.87 MALT1 (0.55) MALT1SMPD1MEN1LMNAMAPT
SCHEMBL15474331 0.87 MALT1 (0.58) MALT1SMPD1HDAC6HDAC1MARS1
SCHEMBL3712001 0.86 MALT1 (0.51) MALT1SMPD1MEN1LMNAMAPT
SCHEMBL30288608 0.81 MALT1 (0.53) MALT1SMPD1MEN1LMNAMAPT
SCHEMBL29699906 0.81 MARS1 (0.57) MALT1MEN1LMNAMAPTHTT
SCHEMBL974118 0.80 SLC16A3 (0.52) MALT1SMPD1MEN1KMT2AHDAC6
SCHEMBL27830829 0.77 MEN1 (0.58) MEN1LMNAMAPTHTTKMT2A
SCHEMBL30288595 0.77 MALT1 (0.49) MALT1MEN1KMT2AKCNJ6KCNJ5
SCHEMBL30288612 0.76 MALT1 (0.56) MALT1SMPD1MEN1KMT2AHDAC6
SCHEMBL977038 0.75 SMPD1 (0.44) SMPD1MEN1KMT2ASMN1; SMN2HDAC6

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 10 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
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 — — 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 (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 MALT1 511/4885SMPD1 1060/4885MEN1 3189/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MALT1 511/4885SMPD1 1060/4885MEN1 3189/4885

“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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