SCHEMBL21723280

SCHEMBL21723280

COc1cc(C(=O)O)cc2nc3c(OC)cc(C(=O)O)cc3nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA4 P22748 2/20 0.58
CA6 P23280 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
CA3 P07451 1/20 0.58
PKM P14618 1/20 0.58
CA5A P35218 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
PTGS2 P35354 1/20 0.55
TPMT P51580 2/20 0.52
HTT P42858 2/20 0.49
CNR2 P34972 1/20 0.49
TSHR P16473 2/20 0.45
NQO2 P16083 2/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL21729812 0.95 CA12 (0.56) CA12CA1CA2CA4CA6
SCHEMBL21729840 0.91 PTGS2 (0.54) CA12CA1CA2CA4CA6
SCHEMBL23752040 0.89 TDP1 (0.55) CA12CA1CA2CA4CA6
SCHEMBL21729791 0.88 PTGS2 (0.51) CA12CA1CA2CA4CA6
SCHEMBL21729886 0.84 TPMT (0.46) CA12CA1CA2CA4CA6
SCHEMBL21729783 0.84 KDM4E (0.55) CA12CA1CA2CA7CA9
SCHEMBL23904882 0.82 CA12 (0.47) CA12CA1CA2CA4CA6
SCHEMBL23905769 0.82 CA12 (0.47) CA12CA1CA2CA4CA6
SCHEMBL21729887 0.81 TDP1 (0.40) CA12CA1CA2CA4CA6
SCHEMBL19893002 0.81 CA12 (0.53) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263384-A9 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU ENERGY AG (DE) 2025-08-21 US disclosed
US-20240124405-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJECKT AG (DE) 2024-04-18 US disclosed
US-11731945-B2 Redox-active compounds and uses thereof CMBLU ENERGY AG (DE) 2023-08-22 US disclosed
US-11731945-B2 Redox-active compounds and uses thereof CMBLU ENERGY AG (DE) 2023-08-22 US disclosed
US-11731945-B2 Redox-active compounds and uses thereof CMBLU ENERGY AG (DE) 2023-08-22 US disclosed
US-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2021-08-19 US disclosed
US-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2021-08-19 US disclosed
CN-113166079-A Redox active compounds and their use 克姆布鲁项目公司 2021-07-23 CN disclosed
EP-3837246-A2 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBlu Projekt AG (DE) 2021-06-23 EP disclosed
WO-2020035548-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 (4 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-20240124405-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF NOX4, NQO1, GPX1 CA12 1993/4885CA1 1806/4885CA2 1635/4885
US-20250263384-A9 REDOX-ACTIVE COMPOUNDS AND USES THEREOF NOX4, NQO1, GPX1 CA12 1993/4885CA1 1806/4885CA2 1635/4885
US-11731945-B2 Redox-active compounds and uses thereof NOX4, NQO1, GPX1 CA12 1993/4885CA1 1806/4885CA2 1635/4885
US-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF NOX4, NQO1, GPX1 CA12 1993/4885CA1 1806/4885CA2 1635/4885

“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.