SCHEMBL2844099

SCHEMBL2844099

CNC(=O)c1c(-c2ccc(C)cc2)oc2ccc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 6/20 0.50
MAPT P10636 2/20 0.50
ALOX5 P09917 2/20 0.50
TP53 P04637 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC2A1 P11166 1/20 0.44
MCL1 Q07820 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2C8 P10632 3/20 0.43

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
SCHEMBL2838534 0.89 CYP3A4 (0.51) ANO1ALOX5CYP3A4CYP2C8KCNH2
SCHEMBL5512634 0.85 ANO1 (0.64) ANO1MAPTALOX5TP53CSNK2A2
SCHEMBL2838941 0.82 CYP3A4 (0.54) ANO1MAPTTP53CSNK2A2CSNK2B
SCHEMBL17775121 0.82 MAPT (0.44) ANO1MAPTTP53CSNK2A2CSNK2B
SCHEMBL2838683 0.82 KDM4E (0.66) MAPTTP53KDM4EMEN1NPC1
SCHEMBL2841188 0.80 CYP3A4 (0.46) MAPTALOX5TP53KDM4EMEN1
SCHEMBL10240800 0.78 CYP3A4 (0.53) ANO1ALOX5CYP3A4CYP2C8KCNH2
SCHEMBL2842305 0.77 CYP3A4 (0.54) ANO1MEN1KMT2ACYP3A4CYP2C8
SCHEMBL2840167 0.75 KDM4E (0.62) ANO1MAPTKDM4EMEN1ALDH1A1
SCHEMBL11729623 0.75 ALOX5 (0.57) ANO1MAPTALOX5TP53CSNK2A2

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 3901/4885MAPT 3261/4885ALOX5 492/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 ANO1 3901/4885MAPT 3261/4885ALOX5 492/4885

“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.