SCHEMBL13290702

SCHEMBL13290702

O=C(O)Cc1ccc(NC(=O)Cc2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.79
NR1H4 Q96RI1 1/20 0.74
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
BCHE P06276 2/20 0.69
ACHE P22303 2/20 0.69
PRMT1 Q99873 1/20 0.68
HDAC3 O15379 1/20 0.67
HDAC4 P56524 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67
RAB9A P51151 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66

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
SCHEMBL5175200 0.89 EPHX2 (0.79) EPHX2MEN1KMT2ABCHEACHE
SCHEMBL1516167 0.88 EPHX2 (1.00) EPHX2MEN1KMT2ABCHEACHE
SCHEMBL10054999 0.88 EPHX2 (0.92) EPHX2NR1H4MEN1KMT2ABCHE
SCHEMBL14811482 0.87 HDAC8 (0.79) EPHX2MEN1KMT2ABCHEACHE
SCHEMBL4732332 0.87 EPHX2 (0.76) EPHX2NR1H4MEN1KMT2ABCHE
Hydrochloric Acid SCHEMBL27735879 0.86 EPHX2 (0.96) EPHX2MEN1KMT2ABCHEACHE
SCHEMBL27507480 0.86 EPHX2 (0.73) EPHX2NR1H4MEN1KMT2ABCHE
SCHEMBL10163448 0.86 EPHX2 (0.73) EPHX2MEN1KMT2ABCHEACHE
SCHEMBL4420812 0.85 EPHX2 (0.79) EPHX2MEN1KMT2ABCHEACHE
SCHEMBL9478851 0.85 EPHX2 (0.85) EPHX2MEN1KMT2ABCHEACHE

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
US-20170066712-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-03-09 US disclosed
US-9499479-B2 Molecules that selectively inhibit histone deacetylase 6 relative to histone deacetylase 1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-11-22 US disclosed
US-20140288119-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE 1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-25 US disclosed
US-7744910-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2010-06-29 US disclosed
US-7417022-B2 Compounds and compositions for delivering active agents MHR INSTITUTIONAL PARTNERS IIA LP (US) 2008-08-26 US disclosed
US-7186414-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC (US) 2007-03-06 US disclosed
US-20070010422-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-01-11 US 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 (3 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-20170066712-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE HDAC7, HDAC3, HDAC8 EPHX2 2916/4885NR1H4 339/4885MEN1 3500/4885
US-20070010422-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS SERPINB1, ELANE, MMP8 EPHX2 472/4885NR1H4 836/4885MEN1 1531/4885
US-20140288119-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE 1 HDAC7, HDAC3, HDAC1 EPHX2 3068/4885NR1H4 328/4885MEN1 3343/4885

“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.