SCHEMBL21729804

SCHEMBL21729804

Cc1cc2nc3cc(O)c(O)cc3nc2cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
BRD4 O60885 2/20 0.41
TP53 P04637 1/20 0.41
CREBBP Q92793 1/20 0.41
POLB P06746 2/20 0.37
RECQL P46063 2/20 0.37
ESR2 Q92731 1/20 0.37
NQO2 P16083 1/20 0.36
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
GAA P10253 3/20 0.33
CASR P41180 1/20 0.31
NSD2 O96028 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 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
SCHEMBL11384909 0.81 CYP1A2 (0.39) KDM4EMAPTBRD4TP53CREBBP
SCHEMBL2449714 0.77 KDM4E (0.68) KDM4EMAPTTP53POLBNQO2
SCHEMBL15581107 0.75 KDM4E (0.58) KDM4EMAPTTP53POLBESR2
SCHEMBL21729806 0.75 NQO2 (0.49) MAPTBRD4TP53CREBBPPOLB
SCHEMBL21729805 0.75 NQO2 (0.49) MAPTBRD4TP53CREBBPPOLB
SCHEMBL21729803 0.75 MAPT (0.39) KDM4EMAPTPOLBRECQLESR2
SCHEMBL8469963 0.75 BRD4 (0.48) KDM4EMAPTBRD4TP53CREBBP
SCHEMBL24474073 0.74 MYC (0.44) KDM4EMAPTPOLBNQO2HSD17B10
SCHEMBL29627810 0.74 MYC (0.44) KDM4EMAPTPOLBNQO2HSD17B10
SCHEMBL12556808 0.74 BRD4 (0.46) KDM4EMAPTBRD4TP53CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731945-B2 Redox-active compounds and uses thereof CMBLU ENERGY AG (DE) 2023-08-22 US disclosed
US-20230095542-A1 Novel Phenazine-Based Compounds CMBLU ENERGY AG (DE) 2023-03-30 US disclosed
EP-4107147-A1 NOVEL PHENAZINE-BASED COMPOUNDS CMBlu Energy AG (DE) 2022-12-28 EP disclosed
WO-2022136704-A1 AQUEOUS ENERGY STORAGE SYSTEM FOR REDOX FLOW BATTERIES CMBLU ENERGY AG (DE) 2022-06-30 WO disclosed
WO-2022111837-A1 ELECTROLYTE REGENERATION FOR REDOX FLOW BATTERIES BASED ON FERROCYANIDE AND/OR FERRICYANIDE SALTS CMBLU ENERGY AG (DE) 2022-06-02 WO disclosed
WO-2022111833-A1 ELECTROLYTE REGENERATION FOR ORGANIC REDOX FLOW BATTERIES BASED ON WATER-SOLUBLE PHENAZINE-BASED COMPOUNDS CMBLU ENERGY AG (DE) 2022-06-02 WO disclosed
US-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2021-08-19 US disclosed
WO-2020035549-A2 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2020-02-20 WO disclosed
WO-2020035548-A2 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2020-02-20 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 (3 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-20230095542-A1 Novel Phenazine-Based Compounds PRDX5, NDUFS5, GPX4 KDM4E 1910/4885MAPT 722/4885BRD4 207/4885
US-11731945-B2 Redox-active compounds and uses thereof NOX4, NQO1, GPX1 KDM4E 946/4885MAPT 1567/4885BRD4 379/4885
US-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF NOX4, NQO1, GPX1 KDM4E 946/4885MAPT 1567/4885BRD4 379/4885

“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.