SCHEMBL155365

SCHEMBL155365

OB(O)c1cc2cc(Br)ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
MGLL Q99685 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PIM1 P11309 1/20 0.51
CYP2A6 P11509 1/20 0.49
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GPR35 Q9HC97 1/20 0.47
MAOA P21397 1/20 0.46
ALDH1A1 P00352 4/20 0.45
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
ALDH2 P05091 1/20 0.43
ALDH1A3 P47895 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 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
SCHEMBL31416604 1.00 KDM4E (0.58) KDM4EMGLLHSD17B10TDP1PIM1
SCHEMBL8405342 0.85 KDM4E (0.58) KDM4EMGLLHSD17B10TDP1PIM1
SCHEMBL13191134 0.81 PIM1 (0.49) KDM4EMGLLHSD17B10TDP1PIM1
SCHEMBL7309893 0.77 KDM4E (0.58) KDM4EMGLLHSD17B10TDP1MAOA
SCHEMBL2476800 0.77 KDM4E (0.58) KDM4EMGLLHSD17B10TDP1GPR35
SCHEMBL2861393 0.77 TDP1 (0.58) KDM4EMGLLHSD17B10TDP1CYP2A6
SCHEMBL29958092 0.77 KDM4E (0.58) KDM4EMGLLHSD17B10TDP1GPR35
SCHEMBL147973 0.74 KDM4E (1.00) KDM4EMGLLHSD17B10TDP1CYP2A6
SCHEMBL1601191 0.73 KDM4E (0.62) KDM4EMGLLHSD17B10TDP1PIM1
SCHEMBL13048738 0.73 KDM4E (0.53) KDM4EMGLLHSD17B10TDP1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
US-9732102-B2 System for controlling the reactivity of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-08-15 US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20170002026-A1 System for Controlling the Reactivity of Boronic Acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-01-05 US disclosed
US-9328127-B2 System for controlling the reactivity of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-03 US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US disclosed
US-20120059184-A1 System for Controlling the Reactivity of Boronic Acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-03-08 US disclosed
US-8013203-B2 System for controlling the reactivity of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-09-06 US disclosed
WO-2010111483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed
EP-2181103-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS The Board Of Trustees Of The University Of Illinois (US) 2010-05-05 EP disclosed
WO-2009014550-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2009-01-29 WO disclosed
US-20090030238-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-29 US disclosed
EP-1214306-A1 LIQUID CRYSTAL COMPOUNDS Qinetiq Limited (GB) 2002-06-19 EP disclosed
WO-2001021606-A1 LIQUID CRYSTAL COMPOUNDS QINETIQ LIMITED (GB) 2001-03-29 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 (10 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KDM4E 3780/4885MGLL 2036/4885HSD17B10 1056/4885
US-20170002026-A1 System for Controlling the Reactivity of Boronic Acids ORC3, BRS3, OSBPL3 KDM4E 4580/4885MGLL 4699/4885HSD17B10 2698/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KDM4E 3780/4885MGLL 2036/4885HSD17B10 1056/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KDM4E 3780/4885MGLL 2036/4885HSD17B10 1056/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KDM4E 3780/4885MGLL 2036/4885HSD17B10 1056/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 KDM4E 3780/4885MGLL 2036/4885HSD17B10 1056/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KDM4E 3780/4885MGLL 2036/4885HSD17B10 1056/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KDM4E 3780/4885MGLL 2036/4885HSD17B10 1056/4885
US-20120059184-A1 System for Controlling the Reactivity of Boronic Acids ORC3, BRS3, OSBPL3 KDM4E 4580/4885MGLL 4699/4885HSD17B10 2698/4885
US-20090030238-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS ORC3, BRS3, OSBPL3 KDM4E 4580/4885MGLL 4699/4885HSD17B10 2698/4885

“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.