SCHEMBL577979

SCHEMBL577979

COc1ccc(C(C)=O)c(C(N)=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 4/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 3/20 0.41
FLT3 P36888 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
NNMT P40261 1/20 0.40
PDE4A P27815 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKMYT1 Q99640 1/20 0.39

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
SCHEMBL2839144 0.89 TDP1 (0.49) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL3372969 0.81 KDM4E (0.45) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL4779654 0.80 LMNA (0.51) KDM4ETDP1L3MBTL1LMNAALDH1A1
SCHEMBL16338876 0.79 SMN1; SMN2 (0.39) KDM4EPOLBTDP1L3MBTL1LMNA
SCHEMBL312873 0.79 ALDH1A1 (0.47) KDM4ETDP1L3MBTL1LMNAALDH1A1
SCHEMBL30788034 0.79 KDM4E (0.49) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL4766118 0.78 NNMT (0.49) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL5144939 0.77 HTT (0.51) KDM4ETDP1L3MBTL1LMNAALDH1A1
SCHEMBL5512898 0.77 MAPT (0.58) KDM4ETDP1L3MBTL1LMNAALDH1A1
SCHEMBL1496439 0.75 NNMT (0.46) KDM4EPOLBCTDSP1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen Sciences Ireland Unlimited Company (IE) 2016-08-18 US disclosed
US-9353103-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2016-05-31 US disclosed
EP-2937339-A1 Macrocylic inhibitors of hepatitis c virus Janssen Sciences Ireland UC (IE) 2015-10-28 EP disclosed
EP-2322516-B1 Intermediates for the preparation of Macrocyclic inhibitors of hepatitis c virus JANSSEN SCIENCES IRELAND UC (IE) 2015-09-23 EP disclosed
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R & D IRELAND (IE) 2015-08-06 US disclosed
US-9040562-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2015-05-26 US disclosed
US-20140255347-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R&D IRELAND (IE) 2014-09-11 US disclosed
US-8349869-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2013-01-08 US disclosed
US-20120171157-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2012-07-05 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110295012-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-12-01 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus MEDIVIR AB (SE) 2009-11-12 US disclosed
EP-1912999-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
WO-2007014926-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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 (7 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS KDM4E 2630/4885POLB 2176/4885CTDSP1 1776/4885
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus CYP2A7, CYP3A7, HCCS KDM4E 2630/4885POLB 2176/4885CTDSP1 1776/4885
US-20140255347-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS KDM4E 2630/4885POLB 2176/4885CTDSP1 1776/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS KDM4E 2630/4885POLB 2176/4885CTDSP1 1776/4885
US-20110295012-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, HCCS, CYP3A7 KDM4E 2663/4885POLB 2316/4885CTDSP1 1881/4885
US-20120171157-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS KDM4E 2630/4885POLB 2176/4885CTDSP1 1776/4885
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS KDM4E 2630/4885POLB 2176/4885CTDSP1 1776/4885

“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.