SCHEMBL3535771

SCHEMBL3535771

COC(=O)c1c(-c2ccc(F)cc2)oc2cc(Br)c(OC)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
RCE1 Q9Y256 1/20 0.46
PRNP P04156 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 1/20 0.45
ANO1 Q5XXA6 2/20 0.44
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
ALOX5 P09917 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL3538490 0.89 ANO1 (0.55) MEN1KMT2AL3MBTL1PRNPSMN1; SMN2
SCHEMBL3538663 0.89 MEN1 (0.66) MEN1KMT2AL3MBTL1RCE1PRNP
SCHEMBL2841591 0.89 CYP3A4 (0.45) MEN1KMT2AANO1
SCHEMBL2402444 0.84 ATM (0.46) MEN1KMT2AL3MBTL1ATMRCE1
SCHEMBL3544766 0.84 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1ATMRCE1
SCHEMBL3537541 0.83 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1ATMRCE1
SCHEMBL14327846 0.83 ATM (0.46) MEN1KMT2AL3MBTL1ATMRCE1
SCHEMBL2404910 0.82 ATM (0.52) MEN1KMT2AL3MBTL1ATMRCE1
SCHEMBL29852823 0.82 ATM (0.52) MEN1KMT2AL3MBTL1ATMRCE1
SCHEMBL3545041 0.80 RCE1 (0.42) MEN1KMT2AL3MBTL1ATMRCE1

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 MEN1 3779/4885KMT2A 3435/4885L3MBTL1 2652/4885
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 MEN1 3779/4885KMT2A 3435/4885L3MBTL1 2652/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 MEN1 3779/4885KMT2A 3435/4885L3MBTL1 2652/4885

“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.