SCHEMBL2336115

SCHEMBL2336115

Cc1ccc2c(c1)C(=O)OC(=O)C2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.51
ACHE P22303 2/20 0.43
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
ELANE P08246 1/20 0.41
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
ADORA1 P30542 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2336120 0.89 METAP1 (0.51) METAP1ACHEPARP1PARP10ELANE
SCHEMBL21426605 0.82 AKR1B1 (0.39) METAP1MAOAMAOB
SCHEMBL21426609 0.80 AKR1B1 (0.38) METAP1MAOAMAOB
SCHEMBL2601988 0.79 METAP1 (0.44) METAP1PARP1PARP10MAOAMAOB
SCHEMBL29738039 0.78 TDP1 (0.46) METAP1PARP1PARP10MAOAMAOB
SCHEMBL1399984 0.78 TDP1 (0.46) METAP1PARP1PARP10MAOAMAOB
SCHEMBL2330961 0.78 PARP1 (0.44) ACHEPARP1PARP10MAOAMAOB
SCHEMBL1399862 0.77 METAP1 (0.55) METAP1ACHEMAOBALDH1A1KDM4E
SCHEMBL9428518 0.77 HPGD (0.44) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL12787335 0.77 CA12 (0.48) METAP1ACHEPARP1PARP10ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239785-A1 SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)-5-(1-PIPERIDIN-4-YL)ISOINDOLINE-1,3-DIONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2024-07-18 US disclosed
US-11672791-B2 Tyrosine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2023-06-13 US disclosed
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-20180008589-A1 TYROSINE KINASE INHIBITORS MIDCAP FINANCIAL TRUST 2018-01-11 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-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-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
EP-2358682-A2 ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2011-08-24 EP 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
WO-2010055164-A2 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-05-20 WO disclosed
EP-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 EP disclosed
US-5330991-A Tetrahydroisoquinoline compounds and fungicides containing the same TOSOH CORPORATION (JP) 1994-07-19 US disclosed
EP-0528553-A1 Tetrahydroisoquinoline derivatives, processes for producing the same and fungicides containing the same TOSOH CORPORATION (JP) 1993-02-24 EP 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 (8 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 METAP1 1011/4885ACHE 3053/4885PARP1 3954/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 METAP1 1011/4885ACHE 3053/4885PARP1 3954/4885
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 METAP1 1212/4885ACHE 4584/4885PARP1 2824/4885
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 METAP1 1006/4885ACHE 3043/4885PARP1 4050/4885
US-20180008589-A1 TYROSINE KINASE INHIBITORS TYRO3, AXL, RET METAP1 668/4885ACHE 1552/4885PARP1 3853/4885
US-11672791-B2 Tyrosine kinase inhibitors TYRO3, AXL, RET METAP1 668/4885ACHE 1552/4885PARP1 3853/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 METAP1 1011/4885ACHE 3053/4885PARP1 3954/4885
US-20240239785-A1 SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)-5-(1-PIPERIDIN-4-YL)ISOINDOLINE-1,3-DIONE DERIVATIVES AND USES THEREOF IKZF1, ILF2, IKZF3 METAP1 3827/4885ACHE 3989/4885PARP1 1402/4885

“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.