SCHEMBL2938982

SCHEMBL2938982

CCOC(=O)CCN1C(=O)c2ccccc2C(C(=O)NCCc2ccc(OC)cc2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
NPSR1 Q6W5P4 4/20 0.53
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
FFAR1 O14842 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 2/20 0.45
MDM2 Q00987 1/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL6417882 0.85 ALDH1A1 (0.49) ALDH1A1NPSR1KDM4EMAPTHTT
SCHEMBL6411589 0.82 MDM2 (0.68) ALDH1A1NPSR1KDM4EMAPTHTT
SCHEMBL6411387 0.81 ALDH1A1 (0.54) ALDH1A1NPSR1KDM4EMAPTHTT
SCHEMBL6416210 0.81 HSD17B10 (0.44) ALDH1A1NPSR1KDM4EMAPTHTT
SCHEMBL6417311 0.79 ALDH1A1 (0.66) ALDH1A1NPSR1KDM4EMAPTHTT
SCHEMBL6418778 0.79 ALDH1A1 (0.61) ALDH1A1NPSR1KDM4EMAPTHTT
SCHEMBL6414939 0.79 ALDH1A1 (0.74) ALDH1A1NPSR1KDM4EMAPTHTT
SCHEMBL6412385 0.79 ALDH1A1 (0.74) ALDH1A1NPSR1KDM4EMAPTHTT
SCHEMBL15853601 0.78 MDM2 (0.53) ALDH1A1NPSR1KDM4EMAPTHTT
SCHEMBL6417873 0.78 MDM2 (0.51) ALDH1A1NPSR1KDM4EMAPTHTT

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 22 patents — showing the first 20. 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 claimed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US claimed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 US claimed
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2015-12-17 US claimed
US-9150541-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2015-10-06 US claimed
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2014-02-27 US claimed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US claimed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 US claimed
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 US claimed
WO-2004004727-A1 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2004-01-15 WO claimed
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-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-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2015-12-17 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
EP-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 EP disclosed
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 US disclosed
WO-2004004727-A1 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2004-01-15 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 ALDH1A1 4647/4885NPSR1 37/4885KDM4E 4440/4885
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 ALDH1A1 4647/4885NPSR1 37/4885KDM4E 4440/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 ALDH1A1 4647/4885NPSR1 37/4885KDM4E 4440/4885
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis CASP3, BAX, BAD ALDH1A1 1368/4885NPSR1 4805/4885KDM4E 2355/4885
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 ALDH1A1 4710/4885NPSR1 35/4885KDM4E 4486/4885
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 ALDH1A1 4647/4885NPSR1 37/4885KDM4E 4440/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 ALDH1A1 4647/4885NPSR1 37/4885KDM4E 4440/4885

“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.