SCHEMBL123695

SCHEMBL123695

COC(=O)CC1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.61
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL29713943 0.88 SIGMAR1 (0.56) SIGMAR1LMNAALDH1A1POLBGAA
SCHEMBL8944547 0.88 SIGMAR1 (0.56) SIGMAR1LMNAALDH1A1POLBGAA
SCHEMBL11990398 0.87 SIGMAR1 (0.47) SIGMAR1ALDH1A1POLB
SCHEMBL27007117 0.86 SIGMAR1 (0.48) SIGMAR1LMNAALDH1A1
SCHEMBL25154604 0.85 SIGMAR1 (0.57) SIGMAR1LMNAALDH1A1POLBGAA
SCHEMBL21315836 0.85 SIGMAR1 (0.57) SIGMAR1LMNAALDH1A1POLBGAA
SCHEMBL4283405 0.85 SIGMAR1 (0.57) SIGMAR1LMNAALDH1A1POLBGAA
SCHEMBL1665118 0.84 HDAC8 (0.56) SIGMAR1
SCHEMBL1873619 0.84 HDAC8 (0.56) SIGMAR1
SCHEMBL4848163 0.83 OPRD1 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113840820-B Phthalazinone compounds and uses thereof ST制药株式会社 2024-05-03 CN disclosed
US-11591476-B2 In-vivo probe for real time longitudinal monitoring of inducible nitric-oxide synthase in living cells and animals PANDA KOUSTUBH (IN) 2023-02-28 US disclosed
US-20220235011-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF ST PHARM CO., LTD. (KR) 2022-07-28 US disclosed
EP-3978480-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF ST Pharm Co., Ltd. (KR) 2022-04-06 EP disclosed
CN-113840820-A Phthalazinone compounds and uses thereof ST制药株式会社 2021-12-24 CN disclosed
WO-2020242245-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF 에스티팜 주식회사 2020-12-03 WO disclosed
US-20190309169-A1 NOVEL IN-VIVO PROBE FOR REAL TIME LONGITUDINAL MONITORING OF INDUCIBLE NITRIC-OXIDE SYNTHASE IN LIVING CELLS AND ANIMALS PANDA KOUSTUBH (IN) 2019-10-10 US disclosed
WO-2018092034-A1 NOVEL IN-VIVO PROBE FOR REAL TIME LONGITUDINAL MONITORING OF INDUCIBLE NITRIC-OXIDE SYNTHASE IN LIVING CELLS AND ANIMALS PANDA KOUSTUBH (IN) 2018-05-24 WO disclosed
CN-103214473-A Dibenzo[b,f][1,4]oxazapine compounds ARYX THERAPEUTICS INC 2013-07-24 CN disclosed
CN-101641350-B Dibenzo [ b, f ] [1,4] oxazepine compounds ARYX THERAPEUTICS INC 2012-11-28 CN disclosed
US-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-10 US disclosed
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-03-27 US disclosed
US-6525042-B1 Inhibits an activated coagulation factor FXa; anticoagulant, antithrombotic DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-25 US disclosed
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-02-06 US disclosed
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-01-02 US disclosed
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-12-05 US disclosed
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-11-07 US disclosed
US-6432947-B1 NERVOUS SYSTEM DISORDERS; MUSCLE RELAXANTS; ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2002-08-13 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 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 (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-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 SIGMAR1 784/4885LMNA 1821/4885ALDH1A1 328/4885
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 SIGMAR1 784/4885LMNA 1821/4885ALDH1A1 328/4885
US-20220235011-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF SIRT6, SIRT1, SIRT2 SIGMAR1 4423/4885LMNA 2949/4885ALDH1A1 1433/4885
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 SIGMAR1 784/4885LMNA 1821/4885ALDH1A1 328/4885
US-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 SIGMAR1 784/4885LMNA 1821/4885ALDH1A1 328/4885
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 SIGMAR1 784/4885LMNA 1821/4885ALDH1A1 328/4885
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 SIGMAR1 784/4885LMNA 1821/4885ALDH1A1 328/4885

“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.