SCHEMBL601741

SCHEMBL601741

O=C(O)c1nc(Br)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.50
PTGER1 P34995 9/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
P4HTM Q9NXG6 1/20 0.43
EDNRA P25101 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CYP1A2 P05177 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 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
SCHEMBL716542 0.88 MAPT (0.50) FOLH1PTGER1ALDH1A1L3MBTL1SMPD1
SCHEMBL595556 0.86 SMPD1 (0.48) FOLH1KDM4EMRGPRX4SMPD1HDAC1
SCHEMBL30497608 0.86 SMPD1 (0.48) FOLH1KDM4EMRGPRX4SMPD1HDAC1
SCHEMBL16333950 0.84 SGMS2 (0.58) ALDH1A1L3MBTL1MEN1KMT2AHDAC1
SCHEMBL27032805 0.83 FOLH1 (0.48) FOLH1PTGER1KDM4EALDH1A1POLB
SCHEMBL5583791 0.82 RXRA (0.50) FOLH1PTGER1EDNRAMRGPRX4MEN1
SCHEMBL15058040 0.82 MAPT (0.49) FOLH1PTGER1L3MBTL1EDNRA
SCHEMBL30369233 0.82 MAPT (0.49) FOLH1PTGER1L3MBTL1EDNRA
SCHEMBL6373133 0.81 THRA (0.47) FOLH1PTGER1KDM4EALDH1A1POLB
SCHEMBL2483992 0.81 ALDH1A1 (0.53) ALDH1A1POLBL3MBTL1MEN1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364482-B2 Substituted benzofuran compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-06-14 US disclosed
US-9364482-B2 Substituted benzofuran compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-06-14 US disclosed
US-9364482-B2 Substituted benzofuran compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-06-14 US disclosed
US-20160136172-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-05-19 US disclosed
US-20160136172-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-05-19 US disclosed
US-20160136172-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-05-19 US disclosed
EP-3013834-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohme Corp. (US) 2016-05-04 EP disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
WO-2014205593-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-12-31 WO disclosed
WO-2014209727-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-12-31 WO disclosed
WO-2014209727-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-12-31 WO disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
US-20140005190-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-01-02 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
CN-102325531-A Compounds and methods of use GENENTECH INC 2012-01-18 CN disclosed
EP-2376085-A1 COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-19 EP disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 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 (4 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-20160136172-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES GTF3C5, HCCS, EIF2AK2 FOLH1 2393/4885PTGER1 3439/4885KDM4E 1940/4885
US-20140005190-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX FOLH1 4617/4885PTGER1 394/4885KDM4E 2909/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX FOLH1 4617/4885PTGER1 394/4885KDM4E 2909/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX FOLH1 4617/4885PTGER1 394/4885KDM4E 2909/4885

“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.