SCHEMBL2533989

SCHEMBL2533989

CCOC(=O)C1CCC(=NO)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PDK1 Q15118 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL14346585 0.84 MAPT (0.45) MAPTALDH1A1MEN1KMT2APDK1
SCHEMBL19409680 0.81 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2APDK1
SCHEMBL5483 0.79 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2APDK1
SCHEMBL237380 0.78 MAPT (0.60) MAPTALDH1A1MEN1KMT2A
SCHEMBL2375356 0.78 MAPT (0.60) MAPTALDH1A1MEN1KMT2A
SCHEMBL8891623 0.78 MAPT (0.60) MAPTALDH1A1MEN1KMT2A
SCHEMBL4221 0.78 — —
SCHEMBL5364 0.78 MAPT (0.49) MAPTALDH1A1MEN1KMT2APDK1
SCHEMBL11788383 0.77 PPM1B (0.38) ALDH1A1KMT2APDK1TSHR
SCHEMBL13279907 0.76 MAPT (0.47) MAPTALDH1A1MEN1KMT2APDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767312-B2 Phthalazinone compound, and preparation method therefor and medical use thereof GENENTECH, INC. (US) 2023-09-26 — — US disclosed
US-11767312-B2 Phthalazinone compound, and preparation method therefor and medical use thereof GENENTECH, INC. (US) 2023-09-26 — — US disclosed
US-20230242510-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO LTD (CN) 2023-08-03 — — US disclosed
US-20230242510-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO LTD (CN) 2023-08-03 — — US disclosed
WO-2023125928-A1 MENIN INHIBITOR AND USE THEREOF 成都先导药物开发股份有限公司 2023-07-06 — — WO disclosed
US-20230131252-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 — — US disclosed
US-20230131252-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 — — US disclosed
EP-4166550-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2023-04-19 — — EP disclosed
US-20220339146-A1 CYANO-SUBSTITUTED CYCLIC HYDRAZINE DERIVATIVE AND APPLICATION THEREOF E-NITIATE BIOPHARMACEUTICALS (HANGZHOU) CO., LTD (CN) 2022-10-27 — — US disclosed
US-20190031665-A1 DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER EMCURE PHARMACEUTICALS LIMITED (IN) 2019-01-31 — — US disclosed
CN-105061188-A Preparation method of 4,4-difluorocyclohexanecarboxylic acid SHANGHAI AQBIOPHARMA CO LTD 2015-11-18 — — CN disclosed
US-8772277-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-08 — — US disclosed
US-20130072467-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-03-21 — — US disclosed
WO-2013018929-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-07 — — WO disclosed
US-8044206-B2 Nitrogen—containing heterocyclic derivatives having 2,6-disubstituted styryl ASTELLAS PHARMA INC. (JP) 2011-10-25 — — US disclosed
CN-100516040-C Nitrogenous heterocyclic derivative having 2,6-disubstituted styryl ASTELLAS PHARMA INC KOTOBUKI S (JP) 2009-07-22 — — CN disclosed
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl ASTELLAS PHARMA INC. AND KOTOBUKI PHARMACEUTICAL CO., LTD. 2007-05-03 — — US disclosed
EP-1602645-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE HAVING 2,6-DISUBSTITUTED STYRYL Astellas Pharma Inc. (JP) 2005-12-07 — — EP disclosed
WO-2005014519-A1 PROCESS FOR THE PREPARATION OF GEMINAL DIFLUOROALKANES HONEYWELL SPECIALTY CHEMICALS SEELZE GMBH (DE) 2005-02-17 — — WO disclosed
US-3931288-A ANTIINFLAMMATORY, ANTIRHEUMATIC HOFFMANN-LA ROCHE INC. (US) 1976-01-06 — — 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-20130072467-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND ESRRA, ESRRB, ESR2 MAPT 3689/4885ALDH1A1 785/4885MEN1 2128/4885
US-20220339146-A1 CYANO-SUBSTITUTED CYCLIC HYDRAZINE DERIVATIVE AND APPLICATION THEREOF WNK1, STK35, CDK1 MAPT 715/4885ALDH1A1 3352/4885MEN1 1867/4885
US-20190031665-A1 DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER IDO1, IDO2, TDO2 MAPT 3786/4885ALDH1A1 946/4885MEN1 4094/4885
US-11767312-B2 Phthalazinone compound, and preparation method therefor and medical use thereof CYP17A1, AR, NR5A1 MAPT 2509/4885ALDH1A1 490/4885MEN1 425/4885
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl SCN1B, CACNA1B, SCN2A MAPT 964/4885ALDH1A1 2549/4885MEN1 3647/4885
US-20230131252-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF CYP17A1, AR, NR5A1 MAPT 2509/4885ALDH1A1 490/4885MEN1 425/4885
US-20230242510-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF CYP17A1, AR, NR5A1 MAPT 2509/4885ALDH1A1 490/4885MEN1 425/4885

“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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