SCHEMBL514412

SCHEMBL514412

CC(OC(N)=O)c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
PARP10 Q53GL7 1/20 0.37
KIF11 P52732 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HTT P42858 3/20 0.36
ALOX5 P09917 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
HIF1A Q16665 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL2540601 0.84 HCAR2 (0.40) HCAR2ALDH1A1HTTALOX5KDM4E
SCHEMBL22772305 0.84 ESR1 (0.46) HCAR2PARP10LMNACYP1A2CYP3A4
SCHEMBL514895 0.84 ALOX5 (0.50) HCAR2KIF11ALDH1A1ALOX5LMNA
SCHEMBL513778 0.82 ACACB (0.40) HCAR2ALOX5LMNACHRM2CHRM4
SCHEMBL21612915 0.82 ALOX5 (0.51) HCAR2ALDH1A1ALOX5CYP1A2TSHR
SCHEMBL5823639 0.82 ALOX5 (0.51) HCAR2ALDH1A1ALOX5CYP1A2TSHR
SCHEMBL3789551 0.82 ADRB2 (0.47) HCAR2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL29140774 0.82 ALOX5 (0.51) HCAR2ALDH1A1ALOX5CYP1A2TSHR
SCHEMBL28649908 0.82 ALDH1A1 (0.41) HCAR2ALDH1A1HTT
SCHEMBL9090928 0.82 ALDH1A1 (0.41) HCAR2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117838875-A Drug delivery system for local delivery of therapeutic agents and uses thereof 上海椿安生物医药科技有限公司 2024-04-09 CN disclosed
CN-117586234-A CDKL 3-targeted small molecule inhibitor HZ1 and derivative HZ1-X thereof 盛韧 2024-02-23 CN disclosed
CN-115867319-B Drug delivery system for local delivery of therapeutic agents and uses thereof 上海椿安生物医药科技有限公司 2024-01-02 CN disclosed
CN-113347883-B Pesticidal compositions and methods 科迪华农业科技有限责任公司 2023-11-03 CN disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
CN-115867319-A Drug delivery system for local delivery of therapeutic agents and uses thereof 上海椿安生物医药科技有限公司 2023-03-28 CN disclosed
CN-115232030-A Aryl urea compound and preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2022-10-25 CN disclosed
CN-115044383-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal element JSR株式会社 2022-09-13 CN disclosed
CN-114874143-A Regulator containing pyrazole derivatives, preparation method and application thereof 上海翰森生物医药科技有限公司 2022-08-09 CN disclosed
CN-109952297-B Compound (I) 奥斯陆大学 2022-02-25 CN disclosed
CN-113527260-A Compound capable of degrading STAT3 enzyme, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2021-10-22 CN disclosed
CN-113347883-A Pesticidal compositions and methods 科迪华农业科技有限责任公司 2021-09-03 CN disclosed
CN-112601742-A Cathepsin C inhibitors 北京生命科学研究所 2021-04-02 CN disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
CN-1761464-A Substituted p-diaminobenzene derivatives LUNDBECK & CO AS H (DK) 2006-04-19 CN disclosed
US-6727269-B1 ACROMEGALY, PITUITARY ADENOMA OR ENDOCRINE GASTROENTEROPANCEATIC TUMORS INCLUDING THE CARCINOID SYNDROME, AND GASTROINTESTINAL BLEEDING SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-04-27 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 HCAR2 3005/4885PARP10 3668/4885KIF11 1022/4885

“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.