SCHEMBL3383308

SCHEMBL3383308

O=C(CCCCCn1nnc2ccccc2c1=O)NO

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.71
HDAC6 Q9UBN7 5/20 0.71
HDAC1 Q13547 3/20 0.71
HDAC3 O15379 2/20 0.71
HDAC4 P56524 1/20 0.71
HDAC7 Q8WUI4 1/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC10 Q969S8 1/20 0.71
HDAC11 Q96DB2 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
HDAC9 Q9UKV0 1/20 0.71
HDAC5 Q9UQL6 1/20 0.71
MEN1 O00255 4/20 0.69
KDM4E B2RXH2 2/20 0.64
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 2/20 0.56

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
SCHEMBL3380663 0.86 KDM4E (0.74) KMT2AHDAC6HDAC1HDAC3HDAC4
SCHEMBL13784021 0.85 KMT2A (0.70) KMT2AHDAC6HDAC1HDAC3HDAC4
SCHEMBL13783997 0.83 HDAC1 (1.00) KMT2AHDAC6HDAC1HDAC3HDAC4
SCHEMBL874199 0.80 KDM4E (0.70) KMT2AHDAC6HDAC1HDAC3HDAC4
SCHEMBL10919578 0.78 KMT2A (0.82) KMT2AHDAC6HDAC1HDAC3HDAC4
SCHEMBL3380137 0.78 HDAC1 (0.71) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL1845784 0.77 KMT2A (0.70) KMT2AMEN1KDM4ENPSR1ALDH1A1
SCHEMBL2988880 0.76 KMT2A (0.68) KMT2AHDAC6HDAC1HDAC3HDAC4
SCHEMBL5816179 0.76 KMT2A (0.68) KMT2AHDAC6HDAC1HDAC3HDAC4
SCHEMBL4872274 0.76 KMT2A (0.68) KMT2AMEN1ALDH1A1

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
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP disclosed
EP-1280764-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2003-02-05 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 US disclosed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 KMT2A 52/4885HDAC6 6/4885HDAC1 1/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 KMT2A 52/4885HDAC6 6/4885HDAC1 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.