SCHEMBL21497948

SCHEMBL21497948

COc1cc2nc3cc(O)c(O)cc3nc2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.61
PGK1 P00558 5/20 0.48
ALDH1A1 P00352 3/20 0.44
PDGFRB P09619 3/20 0.44
PDGFRA P16234 3/20 0.44
RPS6KB2 Q9UBS0 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4D Q08499 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAOB P27338 1/20 0.41
HMGCR P04035 1/20 0.41

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
SCHEMBL21729810 0.91 NQO2 (0.56) NQO2PGK1ALDH1A1KDM4EPOLB
SCHEMBL1258372 0.83 NQO2 (0.58) NQO2PGK1ALDH1A1PDGFRBPDGFRA
SCHEMBL26021297 0.81 NQO2 (0.47) NQO2PGK1KDM4EPOLBMAPT
SCHEMBL21729786 0.81 NQO2 (0.74) NQO2ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL11205485 0.80 NQO2 (0.45) NQO2PGK1ALDH1A1KDM4EPDE4A
SCHEMBL30648558 0.79 HTT (0.58) ALDH1A1KDM4EPDE4APDE4DHTT
SCHEMBL1987450 0.79 HTT (0.58) ALDH1A1KDM4EPDE4APDE4DHTT
SCHEMBL9979780 0.79 MAPT (0.46) NQO2PGK1ALDH1A1PDGFRBPDGFRA
SCHEMBL29029328 0.77 NQO2 (0.62) NQO2PGK1ALDH1A1PDGFRBPDGFRA
SCHEMBL650718 0.76 NQO2 (0.50) NQO2PGK1ALDH1A1PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10454124-B2 Highly stable phenazine derivatives for aqueous redox flow batteries BATTELLE MEMORIAL INSTITUTE (US) 2019-10-22 US 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-10454124-B2 Highly stable phenazine derivatives for aqueous redox flow batteries NDUFS5, NDUFS2, NDUFV1 NQO2 159/4885PGK1 609/4885ALDH1A1 207/4885

“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.