SCHEMBL975895

SCHEMBL975895

O=C(NCc1ccccc1)OCc1cc(-c2ccccc2)c(C(=O)NO)s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
HDAC1 Q13547 6/20 0.44
HDAC2 Q92769 5/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
PLAU P00749 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL976954 0.86 EPHX1 (0.47) EPHX1HDAC1HDAC2CHRNB2CHRNB4
SCHEMBL15465579 0.84 MGLL (0.45) HDAC1HDAC2CHRNB2CHRNB4CHRNA3
SCHEMBL975815 0.79 CHRNB2 (0.44) HDAC1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL976475 0.79 HDAC6 (0.44) HDAC1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL976281 0.75 HDAC1 (0.52) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL973792 0.73 HDAC1 (0.47) HDAC1HDAC8HDAC6HDAC3HDAC7
Benzyl Benzylcarbamate SCHEMBL1136818 0.71 PLAU (0.70) HDAC1HDAC2PLAUHDAC3
Benzyl Benzylcarbamate SCHEMBL19810513 0.70 PLAU (0.68) HDAC1HDAC2PLAUHDAC3
Benzyl Benzylcarbamate SCHEMBL9998166 0.70 PLAU (0.68) HDAC1HDAC2PLAUHDAC3
Benzyl Benzylcarbamate SCHEMBL28413454 0.70 PLAU (0.68) HDAC1HDAC2PLAUHDAC3

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-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
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP 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 EPHX1 880/4885HDAC1 1/4885HDAC2 4/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 EPHX1 880/4885HDAC1 1/4885HDAC2 4/4885

“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.