SCHEMBL14764868

SCHEMBL14764868

FC(F)(F)c1ccc(Cn2ccc3ccc(Cl)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.47
KCNQ2 O43526 2/20 0.47
KCNQ4 P56696 2/20 0.47
KCNQ5 Q9NR82 2/20 0.47
KMO O15229 1/20 0.47
KCNA3 P22001 2/20 0.46
HRH3 Q9Y5N1 1/20 0.44
HTR6 P50406 2/20 0.44
DDR1 Q08345 1/20 0.43
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
ERBB2 P04626 2/20 0.42
HTR7 P34969 2/20 0.41
P2RX3 P56373 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DRD2 P14416 1/20 0.40

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
SCHEMBL6086428 0.91 KCNA3 (0.55) KCNQ3KCNQ2KCNQ4KCNQ5KMO
SCHEMBL28942975 0.86 MAPT (0.50) KMOHTR6
SCHEMBL6086834 0.86 KMO (0.55) KMOKCNA3HRH3HTR6HTR7
SCHEMBL14773316 0.84 KCNQ3 (0.46) KCNQ3KCNQ2KCNQ4KCNQ5KCNA3
SCHEMBL6087674 0.83 MAPT (0.53) KMOHRH3HTR6EPHX2HTR7
SCHEMBL18003394 0.81 KCNQ3 (0.47) KCNQ3KCNQ2KCNQ4KCNQ5HTR6
SCHEMBL18002722 0.81 L3MBTL1 (0.45) KCNQ3KCNQ2KCNQ4KCNQ5HTR6
SCHEMBL6086776 0.80 HTR6 (0.61) KMOHRH3HTR6HTR7
SCHEMBL29405864 0.80 HTR6 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5HTR6
SCHEMBL6086669 0.80 HTR6 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5HTR6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753611-B1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
EP-2753611-B1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
US-9573939-B2 Substituted benzofuran compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-9573939-B2 Substituted benzofuran compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
WO-2013033899-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013033899-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013034048-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013034048-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 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 (1 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-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES EIF5B, EIF2AK2, HCCS KCNQ3 4461/4885KCNQ2 4418/4885KCNQ4 4565/4885

“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.