SCHEMBL3380137

SCHEMBL3380137

O=C(CCCCCn1cnc2ccccc2c1=O)NO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71
HDAC3 O15379 1/20 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
POLB P06746 6/20 0.60
LMNA P02545 2/20 0.60
THRB P10828 2/20 0.60
MAPK1 P28482 1/20 0.57
TP53 P04637 2/20 0.56
HTR1A P08908 2/20 0.55
HTR7 P34969 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL3378195 0.86 HDAC3 (0.65) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3379530 0.83 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8070439 0.81 HTR1A (0.62) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3383308 0.78 KMT2A (0.71) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL720666 0.77 POLB (0.66) POLBLMNAMAPK1HTR1AHTR7
SCHEMBL8374787 0.76 MAPT (0.62) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL28069319 0.76 CYP1A2 (0.64) POLBLMNAMAPK1HTR1AHTR7
SCHEMBL8433376 0.75 HTR1A (0.58) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL30089495 0.75 SMN1; SMN2 (0.60) POLBLMNATHRBMAPK1CYP1A2
SCHEMBL875704 0.75 SMN1; SMN2 (0.60) POLBLMNATHRBMAPK1CYP1A2

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 HDAC1 1/4885HDAC6 6/4885HDAC3 3/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC6 6/4885HDAC3 3/4885

“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.