SCHEMBL2048449

SCHEMBL2048449

CCOC(OCC)c1cccc(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.44
ACHE P22303 7/20 0.44
BCHE P06276 6/20 0.44
ALDH1A1 P00352 2/20 0.40
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
UNG P13051 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL13527943 0.85 ALDH1A1 (0.39) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL3536989 0.80 ALDH1A1 (0.44) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL895976 0.78 PTGS2 (0.62) PTGS2ACHEBCHEALDH1A1NPC1
SCHEMBL27830252 0.76 PTGS2 (0.40) PTGS2ACHEBCHEALDH1A1NPC1
SCHEMBL4099672 0.75 HDAC4 (0.53) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL663468 0.75 MAOA (0.41) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL7926083 0.74 AOC3 (0.44) PTGS2ACHEBCHEALDH1A1
SCHEMBL10490641 0.74 ALDH1A1 (0.41) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL14231960 0.74 ALDH1A1 (0.41) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL27796753 0.74 ALDH1A1 (0.41) ALDH1A1MAOAMAOBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 EP disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-11364241-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES LLC (US) 2022-06-21 US disclosed
US-20210069191-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MEDIVATION TECHNOLOGIES LLC 2021-03-11 US disclosed
US-10780088-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES LLC (US) 2020-09-22 US disclosed
US-20200261454-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MEDIVATION TECHNOLOGIES LLC 2020-08-20 US disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-10543209-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES LLC (US) 2020-01-28 US disclosed
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed
US-20180117045-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MEDIVATION TECHNOLOGIES LLC 2018-05-03 US disclosed
US-20100022769-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS INSTITUT QUIMIC DE SARRIA CETS (ES) 2010-01-28 US disclosed
EP-2120579-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2009-11-25 EP disclosed
EP-2100890-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS Institut Quimic De Sarria Cets (ES) 2009-09-16 EP disclosed
EP-2100890-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS Institut Quimic De Sarria Cets (ES) 2009-09-16 EP disclosed
US-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents ABBOTT LABORATORIES (US) 2008-10-30 US disclosed
WO-2008083027-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
WO-2008049950-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS INSTITUT QUIMIC DE SARRIA CETS (ES) 2008-05-02 WO disclosed
EP-0563715-B1 Oxyalkynes, pharmaceutical compositions containing same as well as a process for the preparation of these compounds and pharmaceutical compositions GRUENENTHAL GMBH (DE) 1996-08-14 EP disclosed
EP-0563715-A2 Oxyalkynes, pharmaceutical compositions containing same as well as a process for the preparation of these compounds and pharmaceutical compositions Grünenthal GmbH (DE) 1993-10-06 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 (10 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-20180117045-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885
US-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 PTGS2 2928/4885ACHE 2953/4885BCHE 1482/4885
US-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents PARP1, DPYD, PARP2 PTGS2 77/4885ACHE 2750/4885BCHE 3705/4885
US-10780088-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885
US-11364241-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885
US-20100022769-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS MSR1, CCR5, CD4 PTGS2 1051/4885ACHE 3563/4885BCHE 1130/4885
US-10543209-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885
US-20200261454-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PTGS2 1959/4885ACHE 3380/4885BCHE 2912/4885
US-20210069191-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 PTGS2 1567/4885ACHE 3312/4885BCHE 3957/4885

“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.