SCHEMBL2839623

SCHEMBL2839623

CNC(=O)c1c(-c2cccs2)oc2ccc(OC)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 7/20 0.49
HPGD P15428 6/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAOB P27338 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 2/20 0.45
MTNR1A P48039 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
SCHEMBL2835784 0.82 GAA (0.48) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL20919349 0.82 KDM4E (0.51) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL31723155 0.82 KDM4E (0.51) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL2840687 0.81 KDM4E (0.73) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL2840167 0.81 KDM4E (0.62) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL2838934 0.80 ALDH1A1 (0.52) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL2840378 0.79 KDM4E (0.57) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL2837354 0.78 KDM4E (0.55) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL2838935 0.77 KDM4E (0.52) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL2839566 0.77 ANO1 (0.61) KDM4EALDH1A1HPGDLMNATSHR

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 KDM4E 2787/4885ALDH1A1 189/4885HPGD 584/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 KDM4E 2787/4885ALDH1A1 189/4885HPGD 584/4885

“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.