SCHEMBL2863776

SCHEMBL2863776

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(-c3noc(C(F)(F)F)n3)c(OC(C)C)cc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 11/20 0.46
HDAC6 Q9UBN7 7/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2C8 P10632 3/20 0.40
KCNH2 Q12809 1/20 0.40
MMP12 P39900 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
SCHEMBL2867857 0.89 CYP3A4 (0.45) CYP3A4CYP2C8KCNH2
SCHEMBL2841703 0.83 CYP3A4 (0.43) CYP3A4CYP2C8KCNH2
SCHEMBL2841390 0.81 CYP3A4 (0.42) CYP3A4CYP2C8KCNH2
SCHEMBL2839667 0.81 CYP3A4 (0.42) CYP3A4CYP2C8KCNH2
SCHEMBL2837353 0.81 CYP3A4 (0.49) CYP3A4CYP2C8KCNH2
SCHEMBL2838914 0.80 CYP3A4 (0.41) CYP3A4CYP2C8KCNH2
SCHEMBL2842088 0.80 CYP3A4 (0.43) CYP3A4CYP2C8KCNH2
SCHEMBL2841677 0.80 CYP3A4 (0.43) CYP3A4CYP2C8KCNH2
SCHEMBL18038578 0.79 CYP3A4 (0.42) CYP3A4CYP2C8KCNH2
SCHEMBL2839577 0.79 CYP3A4 (0.46) CYP3A4CYP2C8KCNH2

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-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 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
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 HDAC4 858/4885HDAC6 1419/4885HDAC1 1096/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 HDAC4 858/4885HDAC6 1419/4885HDAC1 1096/4885

“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.