SCHEMBL3378718

SCHEMBL3378718

O=C(O)CCCCSCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HDAC8 Q9BY41 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTPN1 P18031 1/20 0.49
ALDH1A1 P00352 6/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
NR1H4 Q96RI1 3/20 0.46
PPARG P37231 2/20 0.46
HSP90AA1 P07900 1/20 0.46
EPHX1 P07099 1/20 0.46
TBXAS1 P24557 2/20 0.46
GAA P10253 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
SCHEMBL14398426 0.90 ALDH1A1 (0.57) HDAC1HDAC8SMN1; SMN2HPGDKDM4E
SCHEMBL3412375 0.89 HDAC1 (0.50) HDAC1HDAC8SMN1; SMN2HPGDKDM4E
SCHEMBL3381011 0.85 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL11952407 0.84 SMN1; SMN2 (0.51) HDAC1HDAC8SMN1; SMN2HPGDKDM4E
SCHEMBL8780100 0.84 HDAC1 (0.68) HDAC1HDAC8SMN1; SMN2HPGDKDM4E
SCHEMBL1472059 0.83 SMN1; SMN2 (0.52) HDAC1HDAC8SMN1; SMN2HPGDKDM4E
SCHEMBL3379592 0.82 HDAC1 (0.70) HDAC1HDAC8SMN1; SMN2HPGDKDM4E
SCHEMBL5286879 0.82 HDAC1 (0.70) HDAC1HDAC8SMN1; SMN2HPGDKDM4E
SCHEMBL3383910 0.81 SMN1; SMN2 (0.58) HDAC1HDAC8SMN1; SMN2HPGDKDM4E
SCHEMBL5641458 0.81 HDAC1 (0.63) HDAC1HDAC8SMN1; SMN2HPGDKDM4E

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 7 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-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 1/4885HDAC8 9/4885SMN1; SMN2 3671/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885SMN1; SMN2 3671/4885

“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.