SCHEMBL2844244

SCHEMBL2844244

CNC(=O)c1c(-c2occc2C)oc2ccc(OC(C)C)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 4/20 0.40
MAPK1 P28482 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 1/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER3 P43115 1/20 0.38

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
SCHEMBL2841538 0.81 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2842325 0.81 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL2844136 0.80 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2841544 0.80 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2843961 0.80 ANO1 (0.51) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL2836381 0.80 ANO1 (0.51) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL2842534 0.78 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL3546526 0.77 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL2835684 0.77 CNR1 (0.49) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2838552 0.77 ALOX5 (0.40) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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 ALDH1A1 189/4885KDM4E 2787/4885HPGD 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 ALDH1A1 189/4885KDM4E 2787/4885HPGD 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.