SCHEMBL21248526

SCHEMBL21248526

O=C(O)c1ccccc1Nc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.67
AKR1C2 P52895 5/20 0.67
AKR1B1 P15121 2/20 0.60
AKR1C4 P17516 2/20 0.60
AKR1C1 Q04828 2/20 0.60
KCNMA1 Q12791 1/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MYC P01106 2/20 0.57
AKR1B10 O60218 1/20 0.57
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HCAR3 P49019 1/20 0.52
FABP4 P15090 2/20 0.52
FABP3 P05413 1/20 0.52
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
CDC25B P30305 1/20 0.51
GFER P55789 1/20 0.51

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
SCHEMBL21248515 0.89 AKR1C3 (0.69) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL21248588 0.86 AKR1C3 (0.58) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL1688337 0.85 AKR1C3 (0.69) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL18667006 0.85 HCAR3 (0.72) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL453183 0.84 AKR1C3 (0.68) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL2112961 0.84 AKR1C3 (0.67) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL2646698 0.84 AKR1C3 (0.71) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL29532900 0.84 AKR1C3 (0.67) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL23567 0.84 AKR1C3 (0.67) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL29377063 0.84 AKR1C3 (0.67) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749325-B1 DREADD ACTUATORS US HEALTH (US) 2026-04-08 EP disclosed
US-11739063-B2 DREADD actuators THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-29 US disclosed
US-20200399228-A1 DREADD ACTUATORS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-12-24 US disclosed
EP-3749325-A1 DREADD ACTUATORS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2020-12-16 EP disclosed
WO-2019157083-A1 DREADD ACTUATORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-15 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 (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-11739063-B2 DREADD actuators GRK1, GRK3, GRK2 AKR1C3 1114/4885AKR1C2 1252/4885AKR1B1 897/4885
US-20200399228-A1 DREADD ACTUATORS GRK1, GRK3, GRK2 AKR1C3 1114/4885AKR1C2 1252/4885AKR1B1 897/4885

“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.