SCHEMBL3534397

SCHEMBL3534397

COC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OC)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
ATM Q13315 1/20 0.65
ANO1 Q5XXA6 5/20 0.63
RCE1 Q9Y256 2/20 0.62
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 6/20 0.61
HPGD P15428 6/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HSD17B10 Q99714 4/20 0.59
TSHR P16473 2/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 4/20 0.55
HTT P42858 2/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.51
BCHE P06276 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50

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
SCHEMBL2294234 0.89 L3MBTL1 (0.55) L3MBTL1ATMANO1RCE1KDM4E
SCHEMBL3538684 0.89 ANO1 (0.78) ANO1KDM4EALDH1A1HPGDMEN1
SCHEMBL3539969 0.88 KDM4E (0.79) L3MBTL1ANO1RCE1KDM4EALDH1A1
SCHEMBL2834620 0.88 ANO1 (0.61) L3MBTL1ATMANO1RCE1KDM4E
SCHEMBL2294314 0.87 MEN1 (0.62) L3MBTL1ATMANO1RCE1KDM4E
SCHEMBL2404910 0.85 ATM (0.52) L3MBTL1ATMANO1RCE1KDM4E
SCHEMBL29852823 0.85 ATM (0.52) L3MBTL1ATMANO1RCE1KDM4E
SCHEMBL3633969 0.84 ANO1 (0.57) L3MBTL1ATMANO1RCE1KDM4E
SCHEMBL3628304 0.84 ANO1 (0.57) L3MBTL1ATMANO1RCE1KDM4E
SCHEMBL13726530 0.80 RCE1 (0.66) L3MBTL1ATMANO1RCE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 L3MBTL1 2652/4885ATM 4205/4885ANO1 3901/4885
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 L3MBTL1 2652/4885ATM 4205/4885ANO1 3901/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 L3MBTL1 2652/4885ATM 4205/4885ANO1 3901/4885

“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.