SCHEMBL21723258

SCHEMBL21723258

Nc1cc2nc3ccc(S(=O)(=O)O)cc3nc2cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HSD17B10 Q99714 4/20 0.59
NT5E P21589 3/20 0.46
CASP6 P55212 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 3/20 0.43
GAA P10253 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NSD2 O96028 2/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL20584147 0.88 ALDH1A1 (0.48) ALDH1A1HSD17B10NT5ECASP6CYP2C9
SCHEMBL29460076 0.88 ALDH1A1 (0.48) ALDH1A1HSD17B10NT5ECASP6CYP2C9
SCHEMBL29593464 0.84 HDAC6 (0.47) ALDH1A1HSD17B10NT5ECASP6CYP2C9
SCHEMBL21713276 0.84 HDAC6 (0.47) ALDH1A1HSD17B10NT5ECASP6CYP2C9
SCHEMBL24474074 0.82 HSD17B10 (0.43) ALDH1A1HSD17B10NT5ECASP6CYP2C9
SCHEMBL21729830 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10NT5ECASP6CYP2C9
SCHEMBL26020951 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10NT5ECASP6CYP2C9
SCHEMBL21497950 0.80 LMNA (0.52) ALDH1A1HSD17B10NT5ECASP6CYP2C9
SCHEMBL21497949 0.80 LMNA (0.52) ALDH1A1HSD17B10NT5ECASP6CYP2C9
SCHEMBL30092607 0.80 LMNA (0.52) ALDH1A1HSD17B10NT5ECASP6CYP2C9

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
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-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2021-08-19 US 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

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 ALDH1A1 277/4885HSD17B10 523/4885NT5E 2025/4885
US-20250263384-A9 REDOX-ACTIVE COMPOUNDS AND USES THEREOF NOX4, NQO1, GPX1 ALDH1A1 277/4885HSD17B10 523/4885NT5E 2025/4885
US-11731945-B2 Redox-active compounds and uses thereof NOX4, NQO1, GPX1 ALDH1A1 277/4885HSD17B10 523/4885NT5E 2025/4885
US-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF NOX4, NQO1, GPX1 ALDH1A1 277/4885HSD17B10 523/4885NT5E 2025/4885

“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.