SCHEMBL5020595

SCHEMBL5020595

O=C(NOC1CCCCO1)c1ccc(CCCCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
MGLL Q99685 2/20 0.47
P2RX3 P56373 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
SSTR3 P32745 1/20 0.46
GSTP1 P09211 1/20 0.45
GSTM2 P28161 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 1/20 0.43
SPHK1 Q9NYA1 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL5020590 0.88 P2RX3 (0.45) MGLLP2RX3GSTP1GSTM2MEN1
SCHEMBL11020132 0.87 P2RX3 (0.48) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL4082004 0.86 GSTP1 (0.49) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL8228943 0.85 P2RX3 (0.44) P2RX3GSTP1GSTM2
SCHEMBL5020592 0.84 P2RX3 (0.51) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL1350794 0.84 GSTP1 (0.48) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL9508263 0.84 P2RX3 (0.48) HDAC1MGLLP2RX3SSTR3GSTP1
SCHEMBL9836588 0.83 EPHX2 (0.54) HDAC1MGLLHDAC8EPHX1
SCHEMBL19021370 0.83 GSTP1 (0.48) P2RX3SSTR3GSTP1GSTM2MEN1
SCHEMBL19167335 0.83 GSTP1 (0.48) P2RX3GSTP1GSTM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 EP disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4757078-A Antiinflammatory agents, psoriasis E. R. SQUIBB & SONS, INC. (US) 1988-07-12 US disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885MGLL 3101/4885P2RX3 3257/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885MGLL 3101/4885P2RX3 3257/4885

“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.