SCHEMBL2840686

SCHEMBL2840686

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCCC3)c(OC(C)C)cc12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.46
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
KCNH2 Q12809 3/20 0.40
CYP2C8 P10632 3/20 0.40

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
SCHEMBL2840249 0.99 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL2840619 0.97 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL2835855 0.92 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL2845058 0.92 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL2845046 0.91 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL2879661 0.91 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL2839438 0.91 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL2843639 0.90 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL3543416 0.90 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL2835989 0.89 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19KCNH2

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 CYP3A4 38/4885CYP2C9 129/4885CYP2C19 117/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 CYP3A4 38/4885CYP2C9 129/4885CYP2C19 117/4885

“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.