SCHEMBL5017632

SCHEMBL5017632

N#Cc1cccc(CON)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
KCNH2 Q12809 1/20 0.36
SOS2 Q07890 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
CTSK P43235 1/20 0.35
GABRA5 P31644 1/20 0.35
CTSS P25774 2/20 0.34
IDO1 P14902 1/20 0.33
SRC P12931 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3760158 0.79 IRAK4 (0.49) ALOX5APFEN1SOS2IRAK4CTSK
SCHEMBL23355870 0.78 GABRA5 (0.36) ALOX5APFEN1KCNH2SOS2IRAK4
SCHEMBL17067514 0.78 ALOX5AP (0.36) ALOX5APFEN1KCNH2SOS2IRAK4
SCHEMBL14075038 0.77 ALOX5AP (0.35) ALOX5APFEN1KCNH2SOS2IRAK4
SCHEMBL929565 0.77 IDH1 (0.38) ALOX5APFEN1KCNH2SOS2CTSK
Hydrochloric Acid SCHEMBL9296794 0.77 IRAK4 (0.48) ALOX5APFEN1SOS2IRAK4CTSK
SCHEMBL27835923 0.76 HRH1 (0.42) ALOX5APFEN1KCNH2SOS2IRAK4
SCHEMBL23796077 0.75 ALOX5AP (0.48) ALOX5APFEN1KCNH2CTSKGABRA5
SCHEMBL9298287 0.75 ALDH1A1 (0.42) ALOX5APFEN1SOS2SRC
SCHEMBL863712 0.75 KCNH2 (0.50) ALOX5APFEN1KCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Selder Pharma Inc. (US) 2019-01-03 US disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 US disclosed
US-9526719-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2016-12-27 US disclosed
US-9526719-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2016-12-27 US disclosed
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2015-12-17 US disclosed
US-9150541-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2015-10-06 US disclosed
US-9150541-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2015-10-06 US disclosed
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2014-02-27 US disclosed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US disclosed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US disclosed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 US disclosed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 US disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 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 (7 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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 ALOX5AP 3341/4885FEN1 4718/4885KCNH2 1026/4885
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 ALOX5AP 3341/4885FEN1 4718/4885KCNH2 1026/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 ALOX5AP 3341/4885FEN1 4718/4885KCNH2 1026/4885
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 ALOX5AP 3051/4885FEN1 4759/4885KCNH2 975/4885
US-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 ALOX5AP 847/4885FEN1 3253/4885KCNH2 2968/4885
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 ALOX5AP 3341/4885FEN1 4718/4885KCNH2 1026/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 ALOX5AP 3341/4885FEN1 4718/4885KCNH2 1026/4885

“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.