SCHEMBL2099808

SCHEMBL2099808

COCCNC(=O)C1c2ccccc2C(=O)N(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.75
TP53 P04637 1/20 0.75
ALDH1A1 P00352 8/20 0.66
NPSR1 Q6W5P4 6/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HTT P42858 3/20 0.62
KDM4E B2RXH2 2/20 0.62
MAPT P10636 2/20 0.62
TSHR P16473 1/20 0.53
GAA P10253 1/20 0.51
STING1 Q86WV6 2/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
KCNA5 P22460 2/20 0.45

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
SCHEMBL29921815 1.00 MDM2 (0.75) MDM2TP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL29921783 0.90 ALDH1A1 (0.66) MDM2TP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL2098618 0.90 ALDH1A1 (0.66) MDM2TP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL2054562 0.85 MDM2 (1.00) MDM2TP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL2054559 0.85 MDM2 (1.00) MDM2TP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL2098874 0.85 MDM2 (1.00) MDM2TP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL2054560 0.85 MDM2 (1.00) MDM2TP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL2054563 0.85 MDM2 (1.00) MDM2TP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL29921819 0.85 MDM2 (1.00) MDM2TP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL1754886 0.85 MDM2 (0.64) MDM2TP53ALDH1A1NPSR1SMN1; SMN2

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 21 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
EP-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 EP 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-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-8163744-B2 Tetrahydro-isoquinolin-1-ones for the treatment of cancer NEXUSPHARMA, INC. (US) 2012-04-24 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-20090068144-A1 TETRAHYDRO-ISOQUINOLIN-1-ONES FOR THE TREATMENT OF CANCER NEXUSPHARMA INC. 2009-03-12 US 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 MDM2 4851/4885TP53 4846/4885ALDH1A1 4647/4885
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 MDM2 4851/4885TP53 4846/4885ALDH1A1 4647/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 MDM2 4851/4885TP53 4846/4885ALDH1A1 4647/4885
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 MDM2 4867/4885TP53 4866/4885ALDH1A1 4710/4885
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 MDM2 4851/4885TP53 4846/4885ALDH1A1 4647/4885
US-20090068144-A1 TETRAHYDRO-ISOQUINOLIN-1-ONES FOR THE TREATMENT OF CANCER ING2, HMGB2, NOTCH2 MDM2 9/4885TP53 26/4885ALDH1A1 1147/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 MDM2 4851/4885TP53 4846/4885ALDH1A1 4647/4885

“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.