SCHEMBL6168325

SCHEMBL6168325

O=c1c2cc(Br)ccc2ccn1Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
THRB P10828 1/20 0.50
IDO1 P14902 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PSMB1 P20618 3/20 0.46
PSMB5 P28074 3/20 0.46
MAPK14 Q16539 2/20 0.46
TP53 P04637 3/20 0.45
FGFR1 P11362 1/20 0.42
FGFR4 P22455 1/20 0.42
LMNA P02545 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP19A1 P11511 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6168739 0.86 FGFR1 (0.48) MAPTTHRBIDO1ALDH1A1PSMB1
SCHEMBL31241117 0.86 MAPT (0.55) MAPTTHRBIDO1PSMB1PSMB5
SCHEMBL31241086 0.86 PSMB1 (0.48) ALDH1A1PSMB1PSMB5MAPK14GAA
SCHEMBL13392342 0.86 PSMB1 (0.48) ALDH1A1PSMB1PSMB5MAPK14GAA
SCHEMBL6167939 0.85 MAPK14 (0.52) THRBALDH1A1PSMB1PSMB5MAPK14
SCHEMBL6181448 0.83 DDR1 (0.44) IDO1ALDH1A1PSMB1PSMB5SMN1; SMN2
SCHEMBL6190398 0.83 PSMB1 (0.46) IDO1ALDH1A1PSMB1PSMB5FGFR1
SCHEMBL6177573 0.82 CA2 (0.50) PSMB1PSMB5
SCHEMBL6171027 0.80 EGLN1 (0.53) MAPTTHRBALDH1A1PSMB1PSMB5
SCHEMBL2117375 0.80 HDAC6 (0.60) ALDH1A1TP53LMNAHDAC3HDAC1

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-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
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-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-1530472-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-03-04 US disclosed
WO-2004014379-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (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-20160136172-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES GTF3C5, HCCS, EIF2AK2 MAPT 4299/4885THRB 4568/4885IDO1 3193/4885
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 MAPT 2142/4885THRB 4378/4885IDO1 142/4885

“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.