SCHEMBL3223472

SCHEMBL3223472

O=C(O)C=Cc1cnc(Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.46
PLAU P00749 1/20 0.42
P4HTM Q9NXG6 1/20 0.40
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
NAPRT Q6XQN6 1/20 0.37
HCAR2 Q8TDS4 3/20 0.36
HDAC3 O15379 1/20 0.36
TNKS O95271 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL3223457 1.00 SIRT6 (0.46) SIRT6PLAUP4HTMKDM4ELMNA
SCHEMBL1706867 0.79 KMT2A (0.44) SIRT6KDM4ELMNAHCAR2CA1
SCHEMBL27677687 0.79 KMT2A (0.44) SIRT6KDM4ELMNAHCAR2CA1
SCHEMBL753041 0.77 NFE2L2 (0.49) PLAUP4HTMKDM4ELMNAHCAR2
SCHEMBL13505293 0.77 P4HTM (0.40) PLAUP4HTMKDM4ELMNABLM
SCHEMBL1124256 0.77 NFE2L2 (0.49) PLAUP4HTMKDM4ELMNAHCAR2
SCHEMBL13505295 0.77 P4HTM (0.40) PLAUP4HTMKDM4ELMNABLM
SCHEMBL15278589 0.75 XPO1 (0.37) SIRT6LMNACYP3A4RAB9AESR1
SCHEMBL30288849 0.75 XPO1 (0.37) SIRT6LMNACYP3A4RAB9AESR1
Acetic Acid SCHEMBL23361973 0.73 SIRT6 (0.41) SIRT6NAPRTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828243-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
US-9499538-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
US-20150105403-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS, INC. 2015-04-16 US disclosed
US-7750155-B2 Pyrazinyl hydroxyacrylamide compounds having an inhibitory effect on the activity of histone deacetylase ASTELLAS PHARMA INC. (JP) 2010-07-06 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
EP-2099756-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2009-09-16 EP disclosed
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLA PHARMA INC. (JP) 2009-02-26 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
EP-1981877-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2008-10-22 EP disclosed
WO-2008075757-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2008-06-26 WO disclosed
WO-2007091703-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2007-08-16 WO disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 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 (5 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-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC6, HDAC5 SIRT6 488/4885PLAU 3319/4885P4HTM 1196/4885
US-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 SIRT6 871/4885PLAU 4280/4885P4HTM 3332/4885
US-20150105403-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 SIRT6 1885/4885PLAU 2763/4885P4HTM 285/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 SIRT6 936/4885PLAU 3742/4885P4HTM 1753/4885
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 SIRT6 806/4885PLAU 3652/4885P4HTM 971/4885

“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.