SCHEMBL3538490

SCHEMBL3538490

COc1cc2c(C(=O)O)c(-c3ccc(F)cc3)oc2cc1Br

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 12/20 0.55
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PRNP P04156 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3535771 0.89 MEN1 (0.51) ANO1MEN1KMT2ALMNAHTT
SCHEMBL3541223 0.87 ANO1 (0.48) ANO1MEN1KMT2AHTTPRNP
SCHEMBL2841591 0.87 CYP3A4 (0.45) ANO1MEN1KMT2A
SCHEMBL5261169 0.86 ANO1 (0.55) ANO1LMNACYP1A1CYP1A2CYP1B1
SCHEMBL3538663 0.85 MEN1 (0.66) MEN1KMT2ALMNAHTTPRNP
SCHEMBL2862611 0.83 ANO1 (0.53) ANO1LMNACYP1A1CYP1A2CYP1B1
SCHEMBL18809255 0.83 MEN1 (0.56) ANO1MEN1KMT2APRNPKDM4E
SCHEMBL3540383 0.82 ANO1 (0.52) ANO1LMNACYP1A1CYP1A2CYP1B1
SCHEMBL2840896 0.80 ANO1 (0.50) ANO1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3544472 0.80 ANO1 (0.48) ANO1

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
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 disclosed
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2009-11-12 US disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 3901/4885MEN1 3779/4885KMT2A 3435/4885
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 ANO1 3901/4885MEN1 3779/4885KMT2A 3435/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 ANO1 3901/4885MEN1 3779/4885KMT2A 3435/4885

“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.