SCHEMBL354115

SCHEMBL354115

O=C(O)c1nncc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.53
KDR P35968 3/20 0.53
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP1A2 P05177 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
GOT1 P17174 2/20 0.46
LMNA P02545 2/20 0.46
CYP2D6 P10635 2/20 0.46
NPC1 O15118 2/20 0.46
MPO P05164 2/20 0.46
PKM P14618 1/20 0.46
MAOA P21397 1/20 0.46
PTGS1 P23219 1/20 0.46
THPO P40225 1/20 0.46
AOX1 Q06278 1/20 0.46
ACOX1 Q15067 1/20 0.46

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
SCHEMBL29684247 1.00 EGFR (0.53) EGFRKDRALDH1A1SMN1; SMN2KDM4E
SCHEMBL14993997 0.86 ALDH1A1 (0.47) EGFRKDRALDH1A1SMN1; SMN2KDM4E
SCHEMBL463374 0.85 EGFR (0.47) EGFRKDRALDH1A1SMN1; SMN2KDM4E
SCHEMBL27930312 0.85 ALDH1A1 (0.46) EGFRKDRALDH1A1SMN1; SMN2KDM4E
SCHEMBL28279906 0.84 EGFR (0.49) EGFRKDRALDH1A1SMN1; SMN2KDM4E
SCHEMBL29617978 0.83 ALDH1A1 (0.49) EGFRKDRALDH1A1SMN1; SMN2KDM4E
SCHEMBL9738820 0.83 ALDH1A1 (0.49) EGFRKDRALDH1A1SMN1; SMN2KDM4E
SCHEMBL30075136 0.81 EGFR (0.49) EGFRKDRALDH1A1SMN1; SMN2KDM4E
SCHEMBL28194071 0.80 EGFR (0.42) EGFRKDRALDH1A1SMN1; SMN2KDM4E
SCHEMBL7016481 0.79 LMNA (0.51) EGFRKDRALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428757-B Heterocyclic imidazole compound, pharmaceutical composition thereof, preparation method and application thereof 上海汇伦生物科技有限公司 2020-12-15 CN claimed
CN-111066779-A Pesticide synergistic additive and method for reducing pesticide dosage 江西中迅农化有限公司 2020-04-28 CN claimed
US-20180111927-A1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2018-04-26 US claimed
EP-3284743-A1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Huilun Life Science & Technology Co., Ltd (CN) 2018-02-21 EP claimed
CN-1097423-A Quinolone-and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-01-18 CN claimed
CN-1068114-A 7-azepine iso-dihydro-indole-group-quinolone and naphthyridonecarboxylic derivative BAYER AG (DE) 1993-01-20 CN claimed
CN-111989328-B Heterocyclic derivatives as pest control agents 拜耳公司 2023-04-18 CN disclosed
CN-115181067-A Arylpyrazole compound and pest control agent 日本曹达株式会社 2022-10-14 CN disclosed
CN-109195966-B Microbiocidal thiazole derivatives 先正达参股股份有限公司 2022-09-16 CN disclosed
CN-108430980-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2022-09-02 CN disclosed
EP-3284743-B1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECH CO LTD (CN) 2022-07-06 EP disclosed
CN-108430976-B Arylpyrazole compound and pest control agent 日本曹达株式会社 2022-07-05 CN disclosed
CN-109071520-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2022-06-14 CN disclosed
WO-1993012087-A1 BIS(CARBAMOYLPIPERIDYL)ALKYLENES AS PLATELET AGGREGATION INHIBITORY AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-06-24 WO disclosed
US-5219867-A Platelet aggregation inhibitory agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-06-15 US disclosed
CN-1068114-A 7-azepine iso-dihydro-indole-group-quinolone and naphthyridonecarboxylic derivative BAYER AG (DE) 1993-01-20 CN disclosed
US-4393062-A ALDOSE REDUCTASE INHIBITOR IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-07-12 US disclosed
US-4251528-A ALDOSE REDUCTASE INHIBITORS USEFUL IN DIABETES, GALACTOSEMIA IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-02-17 US disclosed
US-4182876-A ANTAGONIST FOR THROMBOXANE A2, USED IN TREATMENT OF CEREBRAL APOPLEXY AND MYOCARDIAL INFARCTION MASAYUKI ISHIKAWA (JP) 1980-01-08 US disclosed
EP-0002895-A1 Enzyme inhibitory phthalazin-4-ylacetic acid derivatives, pharmaceutical compositions thereof, and process for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-07-11 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 (1 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-20180111927-A1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF PARP1, PARP8, PARP11 EGFR 3147/4885KDR 1404/4885ALDH1A1 316/4885

“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.