SCHEMBL463746

SCHEMBL463746

CNc1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.39
ADRA2A P08913 3/20 0.39
ADRA2C P18825 3/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ADRA2B P18089 2/20 0.37
TYK2 P29597 1/20 0.36
MEN1 O00255 1/20 0.36
SLC22A1 O15245 1/20 0.36

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
SCHEMBL11663384 0.85 GAA (0.52) GAAALDH1A1PDK1PDK2PDK3
SCHEMBL3792624 0.85 RAPGEF4 (0.40) CYP1A2CYP2A6LMNATSHRGAA
SCHEMBL2101475 0.83 ADRA2A (0.37) CYP1A2CYP2A6LMNATSHRGAA
SCHEMBL9228613 0.83 KCNH2 (0.46) LMNAGAAALDH1A1PDK1PDK2
SCHEMBL21290593 0.83 ADRA2A (0.37) CYP1A2CYP2A6LMNATSHRGAA
SCHEMBL14608489 0.83 CYP1A2 (0.35) CYP1A2CYP2A6LMNATSHRGAA
SCHEMBL11802445 0.83 TSHR (0.50) LMNATSHRGAAALDH1A1PDK1
SCHEMBL101764 0.83 ALDH1A1 (0.52) CYP1A2CYP2A6TSHRGAAADRA2A
SCHEMBL11661447 0.79 SMN1; SMN2 (0.44) CYP1A2LMNATSHRALDH1A1CYP2D6
SCHEMBL11660113 0.79 KCNH2 (0.49) TSHRGAAADRA1ATAAR1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343749-A2 METHOD FOR PRODUCING PRIMARY AND SECONDARY AMINES BY HYDROGENATING NITRILES AND IMINES Degussa AG (DE) 2003-09-17 EP claimed
WO-2002051791-A2 METHOD FOR PRODUCING PRIMARY AND SECONDARY AMINES BY HYDROGENATING NITRILES AND IMINES DEGUSSA AG (DE) 2002-07-04 WO claimed
CN-117720494-A Preparation method and application of novel coumarin derivative plant growth regulator and composition 贵州工业职业技术学院 2024-03-19 CN disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
CN-111039940-B Aurora A kinase inhibitor, preparation method, pharmaceutical composition and application thereof 北京鑫开元医药科技有限公司 2022-10-21 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-114302874-A Indole carboxamide derivatives and pharmaceutical compositions comprising same 国际药品株式会社 2022-04-08 CN disclosed
EP-3702355-B1 SUBSTITUTED PYRAZOLE COMPOUNDS CONTAINING PYRIMIDINE, THE PREPARATION AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2022-01-12 EP disclosed
CN-109535132-B 2-substituted pyrazol amino-4-substituted amino-5-pyrimidine formamide compound, composition and application thereof 北京赛特明强医药科技有限公司 2021-07-20 CN disclosed
WO-2021141984-A1 SUBSTITUTED TRIAZINE COMPOUNDS AND USES THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2021-07-15 WO disclosed
US-10993439-B2 Mesoionic imidazopyridines as insecticides BAYER AKTIENGESELLSCHAFT (DE) 2021-05-04 US disclosed
EP-1343749-A2 METHOD FOR PRODUCING PRIMARY AND SECONDARY AMINES BY HYDROGENATING NITRILES AND IMINES Degussa AG (DE) 2003-09-17 EP disclosed
WO-2002051791-A2 METHOD FOR PRODUCING PRIMARY AND SECONDARY AMINES BY HYDROGENATING NITRILES AND IMINES DEGUSSA AG (DE) 2002-07-04 WO disclosed
US-4488993-A Amidinoureas WILLIAM H. RORER, INC. 1984-12-18 US disclosed
US-4283555-A Amidinoureas WILLIAM H. RORER, INC. (US) 1981-08-11 US disclosed
US-4220658-A Treatment of hypertension with amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-02 US disclosed
US-4219567-A ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1980-08-26 US disclosed
US-4183956-A Method for treating gastrointestinal spasms, gastrointestinal hyperacidity and hypertensive disorders with amidinoureas WILLIAM H. RORER, INC. (US) 1980-01-15 US disclosed
US-4076530-A Dry photographic copying method for producing Te images FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 US disclosed
US-3976643-A FROM AN ANILINE AND CYANAMIDE WILLIAM H. RORER, INC. (US) 1976-08-24 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 (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-10993439-B2 Mesoionic imidazopyridines as insecticides DDT, CHRM1, GRM1 CYP1A2 660/4885CYP2A6 2898/4885LMNA 684/4885
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 IDUA, MAN2B1, GBA1 CYP1A2 1487/4885CYP2A6 2127/4885LMNA 560/4885

“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.