SCHEMBL3535937

SCHEMBL3535937

CCOC(=O)c1c(-c2ccc(F)cc2)oc2cc([N+](=O)[O-])c(OC(C)C)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALOX5 P09917 2/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
PRNP P04156 1/20 0.45
GAA P10253 3/20 0.45
PTGS2 P35354 3/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 4/20 0.44
TSHR P16473 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 2/20 0.44
RCE1 Q9Y256 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.41
F2 P00734 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2297483 0.96 PTGS2 (0.50) KDM4EALOX5MEN1KMT2APRNP
SCHEMBL2296843 0.92 MAPT (0.47) KDM4EALOX5MEN1KMT2APRNP
SCHEMBL2299408 0.92 MEN1 (0.49) KDM4EALOX5MEN1KMT2APRNP
SCHEMBL2295388 0.91 MEN1 (0.49) KDM4EALOX5MEN1KMT2APRNP
SCHEMBL2301421 0.91 ALOX5 (0.57) KDM4EALOX5MEN1KMT2APRNP
SCHEMBL6118713 0.90 KDM4E (0.44) KDM4EALOX5MEN1KMT2APRNP
SCHEMBL6119913 0.90 KDM4E (0.46) KDM4EALOX5MEN1KMT2APRNP
SCHEMBL2301053 0.90 L3MBTL1 (0.40) KDM4EALOX5MEN1KMT2AGAA
SCHEMBL3537312 0.90 MEN1 (0.52) KDM4EALOX5MEN1KMT2APRNP
SCHEMBL3398857 0.89 PTGS2 (0.51) KDM4EALOX5MEN1KMT2APRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107567442-B Inhibitors of hepatitis C virus polymerase 共晶制药公司 2021-05-25 CN disclosed
US-10947210-B2 Inhibitors of Hepatitis C virus polymerase COCRYSTAL PHARMA, INC. (US) 2021-03-16 US disclosed
US-20200255393-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2020-08-13 US disclosed
US-10464914-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL PHARMA, INC. (US) 2019-11-05 US disclosed
EP-3274340-B1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA INC (US) 2019-07-17 EP disclosed
EP-3119786-B1 6H-FURO[2,3-E]INDOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2018-08-01 EP disclosed
US-9914739-B2 6H-furo[2,3-E]indole compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-9914739-B2 6H-furo[2,3-E]indole compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-20180050998-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2018-02-22 US disclosed
EP-2812325-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-07-05 EP disclosed
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
WO-2010030592-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO disclosed
US-7666863-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2010-02-23 US disclosed
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2009-11-12 US disclosed
US-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2007-10-04 US disclosed
US-7265152-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2007-09-04 US disclosed
EP-1581207-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2007-07-25 EP disclosed
EP-1581207-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-10-05 EP disclosed
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED 2004-08-19 US disclosed
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 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 (8 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-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 KDM4E 2787/4885ALOX5 492/4885MEN1 3779/4885
US-20200255393-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLI, POLR2E, POLR2H KDM4E 3514/4885ALOX5 2037/4885MEN1 4697/4885
US-10464914-B2 Inhibitors of hepatitis C virus polymerase POLI, POLR2E, POLR2H KDM4E 3514/4885ALOX5 2037/4885MEN1 4697/4885
US-20100093694-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KDM4E 4218/4885ALOX5 1368/4885MEN1 4676/4885
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 KDM4E 2787/4885ALOX5 492/4885MEN1 3779/4885
US-10947210-B2 Inhibitors of Hepatitis C virus polymerase POLI, POLR2E, POLR2H KDM4E 3514/4885ALOX5 2037/4885MEN1 4697/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 KDM4E 2787/4885ALOX5 492/4885MEN1 3779/4885
US-20180050998-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLI, POLR2E, POLR2H KDM4E 3514/4885ALOX5 2037/4885MEN1 4697/4885

“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.