SCHEMBL436245

SCHEMBL436245

ClCCCc1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
MAOA P21397 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
SCHEMBL4630035 0.93 MAOA (0.33) ALDH1A1LMNAHIF1ASIGMAR1MAOA
SCHEMBL28579175 0.91
SCHEMBL9078158 0.91 SIGMAR1 (0.34) ALDH1A1LMNAMAPTTSHRHIF1A
SCHEMBL8844825 0.91 SIGMAR1 (0.34) ALDH1A1LMNAMAPTTSHRHIF1A
SCHEMBL7493158 0.91 SIGMAR1 (0.34) ALDH1A1LMNAMAPTTSHRHIF1A
SCHEMBL933764 0.84
SCHEMBL11803736 0.84 MAOA (0.40) ALDH1A1LMNAHIF1ASIGMAR1MAOA
SCHEMBL11690401 0.81 SIGMAR1 (0.41) ALDH1A1LMNAMAPTTSHRHIF1A
SCHEMBL28709923 0.81 MAOB (0.40) GMNNALDH1A1LMNACYP2D6MAPT
SCHEMBL6576818 0.78 GFER (0.40) ALDH1A1SMN1; SMN2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF BEIJING SONGRUN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-10-12 US claimed
CN-114075227-B Pyrazole boric acid compound, pharmaceutical composition containing pyrazole boric acid compound and application of pyrazole boric acid compound and pharmaceutical composition 北京嵩润医药科技有限责任公司 2023-07-04 CN claimed
EP-4201941-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF Beijing Songrun Pharmaceutical Technology Co., Ltd. (CN) 2023-06-28 EP claimed
CN-114956593-A Super-hydrophilic self-cleaning antifogging glass and preparation method thereof 杨梅梅 2022-08-30 CN claimed
CN-114075227-A Pyrazole boronic acid compounds, pharmaceutical compositions comprising the same and uses thereof 北京大学 2022-02-22 CN claimed
US-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF BEIJING SONGRUN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-10-12 US disclosed
CN-114075227-B Pyrazole boric acid compound, pharmaceutical composition containing pyrazole boric acid compound and application of pyrazole boric acid compound and pharmaceutical composition 北京嵩润医药科技有限责任公司 2023-07-04 CN disclosed
EP-4201941-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF Beijing Songrun Pharmaceutical Technology Co., Ltd. (CN) 2023-06-28 EP disclosed
CN-114956593-A Super-hydrophilic self-cleaning antifogging glass and preparation method thereof 杨梅梅 2022-08-30 CN disclosed
CN-114075227-A Pyrazole boronic acid compounds, pharmaceutical compositions comprising the same and uses thereof 北京大学 2022-02-22 CN disclosed
CN-110191889-A Silsesquioxane derivative, its composition and low cure shrinkage cured film with free-radical polymerised functional group 捷恩智株式会社 2019-08-30 CN disclosed
CN-109755647-A A kind of magnesium battery electrolyte 麻城市天力科技有限公司 2019-05-14 CN disclosed
CN-1034939-C New compounds ASTRA AB (SE) 1997-05-21 CN disclosed
CN-1033327-C Process for preparing tricyclotriazolo derivatives and their use TORAY INDUSTRIES (JP) 1996-11-20 CN disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 EP disclosed
CN-1066849-A Three ring triazolo derivatives, its Manufacturing approach and use TORAY INDUSTRIES (JP) 1992-12-09 CN disclosed
US-4895587-A Haloacetamide compounds, process for production thereof, and use thereof as herbicide TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1990-01-23 US disclosed
EP-0206251-B1 HALOACETAMIDE COMPOUNDS, PROCESS FOR PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDE TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1988-09-07 EP disclosed
EP-0206251-A1 Haloacetamide compounds, process for production thereof, and use thereof as herbicide TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-12-30 EP disclosed
US-4006232-A Therapeutic method of treating cardiac arrhythmias utilizing 3-substituted diphenylhydantoins MILES LABORATORIES, INC. (US) 1977-02-01 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 (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-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF PSMB11, PSMB7, PSMC5 GMNN 3496/4885ALDH1A1 2816/4885LMNA 3364/4885

“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.