SCHEMBL3537582

SCHEMBL3537582

N#Cc1ccc2oc(-c3ccccc3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.58
TNKS O95271 1/20 0.50
CYP2A6 P11509 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
FFAR1 O14842 1/20 0.48
CYP19A1 P11511 1/20 0.46
PGR P06401 2/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
AR P10275 2/20 0.43
PLAU P00749 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
FYN P06241 1/20 0.42
MAPK3 P27361 1/20 0.42
AHR P35869 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
SCHEMBL11839904 0.84 MAOB (0.56) MAOBTNKSCYP2A6CHRM2CHRM4
SCHEMBL5030588 0.83 ESR1 (0.50) MAOBTNKSCYP2A6CHRM2CHRM4
SCHEMBL3979428 0.81 TNKS (0.63) MAOBTNKSCYP2A6CYP19A1PGR
SCHEMBL5030494 0.80 MAOB (0.59) MAOBPLAUMAOA
SCHEMBL5030436 0.78 BCHE (0.46) TNKSCHRM2CHRM4CHRM5CHRM1
SCHEMBL5028099 0.78 APP (0.44) TNKSCHRM2CHRM4CHRM5CHRM1
SCHEMBL5030544 0.77 BCHE (0.47) TNKSCHRM2CHRM4CHRM5CHRM1
SCHEMBL5030378 0.77 BCHE (0.47) TNKSCHRM2CHRM4CHRM5CHRM1
SCHEMBL3626409 0.77 MAOB (0.68) MAOBCHRM2CHRM4CHRM5CHRM1
SCHEMBL11845085 0.76 SLC22A12 (0.44) TNKSCHRM2CHRM4CHRM5CHRM1

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 14 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-7473786-B1 Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2009-01-06 US disclosed
US-7473786-B1 Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2009-01-06 US disclosed
US-7473786-B1 Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2009-01-06 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
CN-1731993-A Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis c viral infections and associated diseases VIROPHARMA INC (US) 2006-02-08 CN 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
US-4341792-A ANTIDIABETIC AND CARDIOTONIC AGENTS PFIZER INC. (US) 1982-07-27 US disclosed
EP-0026593-A1 Bicyclic keto- and amino- acids, esters and amides and pharmaceutical compositions thereof Pfizer Limited (GB) 1981-04-08 EP 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 MAOB 760/4885TNKS 2605/4885CYP2A6 77/4885
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 MAOB 760/4885TNKS 2605/4885CYP2A6 77/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 MAOB 760/4885TNKS 2605/4885CYP2A6 77/4885

“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.