SCHEMBL21822337

SCHEMBL21822337

Cc1cc(Br)cc2c(=O)oc(-c3cc(Br)nn3-c3ncccc3Cl)nc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.43
▸ PARP1 P09874 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ PARP4 Q9UKK3 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TRPV1 Q8NER1 2/20 0.31
▸ ELANE P08246 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL30560159 1.00 DHODH (0.43) DHODHPARP1PARP2PARP4CYP17A1
SCHEMBL28518923 0.96 DHODH (0.41) DHODHPARP1PARP2PARP4CYP17A1
SCHEMBL29598524 0.93 DHODH (0.43) DHODHCYP17A1CYP1A2TRPV1ELANE
SCHEMBL465839 0.93 DHODH (0.43) DHODHCYP17A1CYP1A2TRPV1ELANE
SCHEMBL12528168 0.93 DHODH (0.43) DHODHPARP1PARP4CYP17A1CYP1A2
SCHEMBL30466603 0.92 DHODH (0.44) DHODHPARP4CYP17A1CYP1A2TRPV1
SCHEMBL959396 0.92 DHODH (0.44) DHODHPARP4CYP17A1CYP1A2TRPV1
SCHEMBL31060018 0.91 DHODH (0.37) DHODHPARP1PARP2PARP4CYP17A1
SCHEMBL950948 0.90 DHODH (0.39) DHODHRAB9AMAPT
SCHEMBL12528630 0.90 DHODH (0.42) DHODHCYP17A1CYP1A2KDM4ETRPV1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632911-B1 METHOD FOR PREPARING ISOXAZINONE COMPOUND AND APPLICATION THEREOF ZHEJIANG ZHUJI UNITED CHEMICALS CO LTD (CN) 2023-08-09 — — EP disclosed
WO-2023079569-A1 A PROCESS FOR PREPARING BENZOXAZINONE COMPOUNDS TAGROS CHEMICALS INDIA PVT. LTD (IN) 2023-05-11 — — WO disclosed
US-11299499-B2 Preparation method and application of isoxazinone compounds Zhejiang Zhuji United Chemicals Co., Ltd. (CN) 2022-04-12 — — US disclosed
CN-110066270-B Polyamide compound and preparation method and application thereof 湖南化工研究院有限公司 2021-02-26 — — CN disclosed
CN-107033135-B Method for preparing isooxazinone compound and application thereof 浙江省诸暨合力化学对外贸易有限公司 2020-09-11 — — CN disclosed
US-20200109152-A1 PREPARATION METHOD AND APPLICATION OF ISOXAZINONE COMPOUNDS Zhejiang Zhuji United Chemicals Co., Ltd. (CN) 2020-04-09 — — US disclosed
EP-3632911-A1 METHOD FOR PREPARING ISOXAZINONE COMPOUND AND APPLICATION THEREOF Zhejiang Zhuji United Chemicals Co., Ltd (CN) 2020-04-08 — — 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 (2 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-11299499-B2 Preparation method and application of isoxazinone compounds NISCH, SI, DAO DHODH 240/4885PARP1 1954/4885PARP2 2167/4885
US-20200109152-A1 PREPARATION METHOD AND APPLICATION OF ISOXAZINONE COMPOUNDS NISCH, SI, DAO DHODH 240/4885PARP1 1954/4885PARP2 2167/4885

“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.

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