SCHEMBL21368046

SCHEMBL21368046

CC(C)(C)OC(=O)c1c[nH]nn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 12/20 0.39
GABRB3 P28472 12/20 0.39
GABRA1 P14867 11/20 0.39
GABRA3 P34903 11/20 0.39
GABRA2 P47869 11/20 0.39
GABRA5 P31644 11/20 0.39
GABRA6 Q16445 9/20 0.39
GABRA4 P48169 5/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRE P78334 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
HPGDS O60760 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
Piperazine SCHEMBL28101298 0.92 PLAT (0.36) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL2210189 0.78
SCHEMBL11192022 0.76 GABRP (0.34) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL159836 0.74 GABRA1 (0.39) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL28905563 0.74
SCHEMBL19100124 0.73 MAPT (0.42) ALDH1A1LMNA
SCHEMBL21873273 0.73 GPR119 (0.50)
SCHEMBL3896577 0.72 CES2 (0.31)
SCHEMBL6816234 0.72 NAMPT (0.50)
SCHEMBL18681468 0.72 TRPA1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483424-A A kind of preparation method of 1-H-1,2,3- triazole -4- carboxylic acid tert-butyl ester SHANGHAI RAISE CHEMICAL TECH CO LTD 2019-11-22 CN claimed
US-12264138-B2 Process for the preparation of microbiocidal oxadiazole derivatives SYNGENTA CROP PROTECTION AG (CH) 2025-04-01 US disclosed
CN-116157154-A Plasma kallikrein inhibitors 默沙东有限责任公司 2023-05-23 CN disclosed
CN-115151538-A Macrocyclic compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-10-04 CN disclosed
CN-114667289-A Heteroaryl plasma kallikrein inhibitors 武田药品工业有限公司 2022-06-24 CN disclosed
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-06-23 US disclosed
US-11358957-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2022-06-14 US disclosed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 US disclosed
CN-112135825-A Plasma kallikrein inhibitors and uses thereof 夏尔人类遗传性治疗公司 2020-12-25 CN disclosed
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2020-10-08 US disclosed
US-20200277287-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-09-03 US disclosed
CN-110483424-A A kind of preparation method of 1-H-1,2,3- triazole -4- carboxylic acid tert-butyl ester SHANGHAI RAISE CHEMICAL TECH CO LTD 2019-11-22 CN disclosed
WO-2019178129-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2019-09-19 WO 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 (6 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-11352356-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 GABRG2 2939/4885GABRB3 3401/4885GABRA1 3085/4885
US-12264138-B2 Process for the preparation of microbiocidal oxadiazole derivatives CYP51A1, MPO, NOX5 GABRG2 1992/4885GABRB3 1868/4885GABRA1 1822/4885
US-20200277287-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG2 GABRG2 1845/4885GABRB3 1327/4885GABRA1 1518/4885
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 GABRG2 2939/4885GABRB3 3401/4885GABRA1 3085/4885
US-11358957-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG2 GABRG2 1845/4885GABRB3 1327/4885GABRA1 1518/4885
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES CYP51A1, MPO, NOX5 GABRG2 1992/4885GABRB3 1868/4885GABRA1 1822/4885

“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.