SCHEMBL22981950

SCHEMBL22981950

C1CNCCNCCN1.C=P(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
MAPT P10636 1/20 0.43
PDE4A P27815 1/20 0.43
KDR P35968 1/20 0.43
CXCR4 P61073 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 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
Piperazine SCHEMBL6306849 0.85 HIF1A (0.50) HIF1AMAPTPDE4AKDRCXCR4
Piperazine SCHEMBL2138391 0.76 HIF1A (0.60) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL3468223 0.76
Piperazine SCHEMBL9441873 0.72 HIF1A (0.55) HIF1AMAPTPDE4AKDRCXCR4
Piperazine SCHEMBL11837613 0.71
Piperazine SCHEMBL964330 0.66 HIF1A (0.75) HIF1AMAPTPDE4AKDRCXCR4
Piperazine SCHEMBL2136219 0.66
Aziridine SCHEMBL8528843 0.66
Piperazine SCHEMBL11729197 0.66 HIF1A (0.75) HIF1AMAPTPDE4AKDRCXCR4
Aziridine SCHEMBL28314657 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115845169-A Device for maintaining metal in stable state and use thereof 梅克布朗公司 2023-03-28 CN disclosed
EP-4146297-A1 DIALYSIS SYSTEM FOR TREATING SEPSIS Mexbrain (FR) 2023-03-15 EP disclosed
US-20220288206-A1 NANOPARTICLES FOR THE TREATMENT OF CANCER BY RADIOFREQUENCY RADIATION LYON INGENIERIE PROJETS (FR) 2022-09-15 US disclosed
EP-4013511-A1 NANOPARTICLES FOR THE TREATMENT OF CANCER BY RADIOFREQUENCY RADIATION NH THERAGUIX (FR) 2022-06-22 EP disclosed
EP-3914298-A1 DEVICE FOR JOINT EXTRACTION OF A METAL CATION AND A TARGET MOLECULE Mexbrain (FR) 2021-12-01 EP disclosed
WO-2021028642-A1 NANOPARTICLES FOR THE TREATMENT OF CANCER BY RADIOFREQUENCY RADIATION NH THERAGUIX (FR) 2021-02-18 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 (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-20220288206-A1 NANOPARTICLES FOR THE TREATMENT OF CANCER BY RADIOFREQUENCY RADIATION HSP90AA1, HSP90AB1, NQO2 HIF1A 36/4885MAPT 3380/4885PDE4A 4213/4885

“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.