SCHEMBL2837609

SCHEMBL2837609

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OCC(F)(F)F)cc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 10/20 0.55
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 3/20 0.46
CYP2C8 P10632 3/20 0.46
KCNH2 Q12809 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NR1I2 O75469 1/20 0.44

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
SCHEMBL16112899 0.92 ALDH1A1 (0.48) ANO1ALDH1A1KDM4ECYP3A4CYP2C8
SCHEMBL2843645 0.91 KDM4E (0.59) ANO1ALDH1A1KDM4EHPGDMAPK1
SCHEMBL1918391 0.86 KDM4E (0.59) ANO1ALDH1A1KDM4EHPGDMAPK1
SCHEMBL1918508 0.85 ANO1 (0.57) ANO1ALDH1A1KDM4EHPGDMAPK1
SCHEMBL2834620 0.85 ANO1 (0.61) ANO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1918631 0.84 ANO1 (0.52) ANO1ALDH1A1KDM4EHPGDMAPK1
SCHEMBL16114278 0.84 ALDH1A1 (0.42) ANO1ALDH1A1CYP3A4CYP2C8KCNH2
SCHEMBL120768 0.83 ANO1 (0.50) ANO1ALDH1A1KDM4EHPGDMAPK1
SCHEMBL2843961 0.83 ANO1 (0.51) ANO1ALDH1A1KDM4EHPGDMAPK1
SCHEMBL2838323 0.83 ANO1 (0.51) ANO1ALDH1A1KDM4EHPGDMAPK1

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
JP-4537315-B2 2010-09-01 JP claimed
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 claimed
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 claimed
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 claimed
JP-2006510736-A 2006-03-30 JP claimed
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 claimed
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 claimed
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 claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ANO1 3901/4885ALDH1A1 189/4885KDM4E 2787/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 ANO1 3901/4885ALDH1A1 189/4885KDM4E 2787/4885

“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.