SCHEMBL25549442

SCHEMBL25549442

c1ccc(CO/N=C(\Cn2ccnc2)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.48
MT-CO2 P00403 1/20 0.47
CYP19A1 P11511 4/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CYP3A4 P08684 2/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
ADRB3 P13945 1/20 0.44
IDO1 P14902 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL25549439 0.90 MT-CO2 (0.43) TBXA2RMT-CO2CYP19A1CYP11B1CYP11B2
SCHEMBL25549486 0.88 MT-CO2 (0.47) TBXA2RMT-CO2CYP19A1CYP11B1CYP11B2
SCHEMBL25549540 0.88 HMOX1 (0.42) TBXA2RMT-CO2CYP19A1CYP11B1CYP11B2
SCHEMBL25549542 0.88 CYP19A1 (0.42) TBXA2RMT-CO2CYP19A1CYP11B1CYP11B2
SCHEMBL25549441 0.85 MT-CO2 (0.43) TBXA2RMT-CO2CYP19A1CYP11B1CYP11B2
SCHEMBL25549481 0.84 TBXA2R (0.44) TBXA2RMT-CO2CYP19A1CYP3A4PGR
SCHEMBL25549438 0.83 MT-CO2 (0.43) TBXA2RMT-CO2CYP19A1CYP3A4PGR
SCHEMBL25549436 0.83 MT-CO2 (0.43) TBXA2RMT-CO2CYP19A1CYP3A4PGR
SCHEMBL25549433 0.82 MT-CO2 (0.47) TBXA2RMT-CO2CYP19A1CYP3A4PGR
SCHEMBL25191205 0.81 ALOX15 (0.47) MT-CO2CYP19A1CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11680062-B2 3,4-methylenedioxyphenylimidazolylethanonexime ether derivative, preparation method and use thereof, and drug for the treatment of Alzheimer's disease NORTHWEST A & F UNIVERSITY (CN) 2023-06-20 US disclosed
US-11680062-B2 3,4-methylenedioxyphenylimidazolylethanonexime ether derivative, preparation method and use thereof, and drug for the treatment of Alzheimer's disease NORTHWEST A & F UNIVERSITY (CN) 2023-06-20 US disclosed
US-20230159503-A1 3,4-METHYLENEDIOXYPHENYLIMIDAZOLYLETHANONEXIME ETHER DERIVATIVE, PREPARATION METHOD AND USE THEREOF, AND DRUG FOR THE TREATMENT OF ALZHEIMER'S DISEASE NORTHWEST A & F UNIVERSITY (CN) 2023-05-25 US disclosed
US-20230159503-A1 3,4-METHYLENEDIOXYPHENYLIMIDAZOLYLETHANONEXIME ETHER DERIVATIVE, PREPARATION METHOD AND USE THEREOF, AND DRUG FOR THE TREATMENT OF ALZHEIMER'S DISEASE NORTHWEST A & F UNIVERSITY (CN) 2023-05-25 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-20230159503-A1 3,4-METHYLENEDIOXYPHENYLIMIDAZOLYLETHANONEXIME ETHER DERIVATIVE, PREPARATION METHOD AND USE THEREOF, AND DRUG FOR THE TREATMENT OF ALZHEIMER'S DISEASE NOS3, CYP51A1, NOS1 TBXA2R 1766/4885MT-CO2 351/4885CYP19A1 71/4885
US-11680062-B2 3,4-methylenedioxyphenylimidazolylethanonexime ether derivative, preparation method and use thereof, and drug for the treatment of Alzheimer's disease NOS3, CYP51A1, NOS1 TBXA2R 1766/4885MT-CO2 351/4885CYP19A1 71/4885

“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.