SCHEMBL16333373

SCHEMBL16333373

Nc1ncc(Br)cc1C(=O)Nc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.49
RAB9A P51151 7/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
EPHB3 P54753 1/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 4/20 0.47
P4HTM Q9NXG6 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
CASP6 P55212 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2637005 0.81 PRKCI (0.60) ATRKDM4EMAPTTP53ALDH1A1
SCHEMBL18633936 0.75 GPR35 (0.52) RAB9AKMT2ANPC1SMN1; SMN2KDM4E
SCHEMBL14059044 0.74 IKBKE (0.55) MEN1KMT2A
SCHEMBL986276 0.74 TP53 (0.46) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL14059578 0.74 TBK1 (0.58) ATR
SCHEMBL14195176 0.74 HSPD1 (0.65) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL14059394 0.74 PRKCI (0.66) HTTALDH1A1GAA
SCHEMBL2636472 0.74 NPC1 (0.46) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL6034744 0.74 SORT1 (0.63) RAB9AMEN1KMT2ANPC1KDM4E
SCHEMBL16758397 0.74 MET (0.42) NPC1L3MBTL1KDM4EALDH1A1

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
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
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-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-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

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-20160136172-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES GTF3C5, HCCS, EIF2AK2 ATR 4247/4885RAB9A 3186/4885MEN1 4787/4885

“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.