SCHEMBL996696

SCHEMBL996696

CCOC(=O)c1cc(C#N)c(N)c(C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.59
HSD17B10 Q99714 5/20 0.59
ALDH1A1 P00352 10/20 0.52
MAPT P10636 5/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
RXFP1 Q9HBX9 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 2/20 0.50
POLB P06746 4/20 0.47
HTT P42858 2/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
GLA P06280 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL9481820 0.83 KDM4E (0.59) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL996863 0.80 KDM4E (0.41) KDM4EHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL1101731 0.80 SMN1; SMN2 (0.44) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL1706638 0.78 KDM4E (0.60) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL10856156 0.77 KDM4E (0.52) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL10856164 0.77 KDM4E (0.52) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL30129925 0.77 KDM4E (0.52) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL3681739 0.75 KDM4E (0.50) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL23768096 0.75 KDM4E (0.56) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL23767908 0.75 KDM4E (0.56) KDM4EHSD17B10ALDH1A1MAPTKMT2A

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 77 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-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-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
CN-102627639-B Macrocydic inhibitors of hepatitis c virus. 爱尔兰詹森科学公司 2017-04-12 CN disclosed
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen Sciences Ireland Unlimited Company (IE) 2016-08-18 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
US-9353103-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2016-05-31 US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
CN-101233131-A Macrocyclic inhibitors of hepatitis c virus TIBOTEC PHARM LTD (IE) 2008-07-30 CN disclosed
CN-101228169-A Macrocyclic inhibitors of hepatitis c virus TIBOTEC PHARM LTD (IE) 2008-07-23 CN disclosed
EP-1912999-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
EP-1912981-A2 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
WO-2007014926-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014927-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014927-A2 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 (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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS KDM4E 2630/4885HSD17B10 584/4885ALDH1A1 2683/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS KDM4E 2630/4885HSD17B10 584/4885ALDH1A1 2683/4885
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 KDM4E 4584/4885HSD17B10 866/4885ALDH1A1 380/4885

“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.