SCHEMBL14764906

SCHEMBL14764906

CC1(C)OB(c2ccc3ccn(Cc4ccc(C(F)(F)F)cc4)c3c2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
KCNQ4 P56696 2/20 0.42
KCNQ5 Q9NR82 2/20 0.42
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
LPL P06858 6/20 0.37
LIPG Q9Y5X9 6/20 0.37
HTR7 P34969 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
HTR6 P50406 1/20 0.36
KCNA3 P22001 2/20 0.35
HDAC8 Q9BY41 2/20 0.34
F11 P03951 2/20 0.34
BRD4 O60885 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL17136960 0.91 KCNQ3 (0.49) KCNQ3KCNQ2KCNQ4KCNQ5LPL
SCHEMBL17052505 0.86 IRAK4 (0.41) LPLLIPGIRAK4HTR6HDAC8
SCHEMBL18239357 0.84 HTR6 (0.48) LPLLIPGIRAK4HTR6BRD4
SCHEMBL18230142 0.80 IRAK4 (0.43) LPLLIPGIRAK4F11
SCHEMBL17136838 0.79 LIPE (0.38) KCNQ3KCNQ2KCNQ4KCNQ5LPL
SCHEMBL8250873 0.78 BRD4 (0.42) LPLLIPGHTR7IRAK4HDAC8
SCHEMBL17136919 0.78 QPCT (0.50) LPLLIPGBRD4
SCHEMBL12260754 0.77 HTR6 (0.55) LPLLIPGHTR6HDAC8F11
SCHEMBL17149343 0.76 HDAC8 (0.46) LPLLIPGIRAK4HTR6HDAC8
SCHEMBL17136899 0.76 BRD4 (0.41) EPHX2LPLLIPGIRAK4F11

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 9 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-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-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

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.