SCHEMBL2838552

SCHEMBL2838552

CNC(=O)c1c(-c2ccc(F)cc2F)oc2ccc(OC(C)C)cc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C8 P10632 3/20 0.39
ANO1 Q5XXA6 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2843961 0.86 ANO1 (0.51) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL2845148 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2842534 0.80 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL2841538 0.79 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2837394 0.78 GAA (0.49) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL2842325 0.78 KDM4E (0.51) ALOX5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2844244 0.77 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL2838935 0.77 KDM4E (0.52) ALOX5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2844136 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL2838323 0.77 ANO1 (0.51) KDM4EALDH1A1HPGDHSD17B10CYP3A4

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 ALOX5 492/4885KDM4E 2787/4885ALDH1A1 189/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 ALOX5 492/4885KDM4E 2787/4885ALDH1A1 189/4885

“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.