SCHEMBL4851177

SCHEMBL4851177

O=C1C=CC(=O)c2c1c(O)c1c(O)ccc(O)c1c2O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.64
CDC25B P30305 2/20 0.64
AURKB Q96GD4 2/20 0.64
COPS5 Q92905 2/20 0.64
TXNRD1 Q16881 2/20 0.64
CYP1A1 P04798 1/20 0.64
CYP1A2 P05177 1/20 0.64
TXNRD3 Q86VQ6 1/20 0.64
TXNRD2 Q9NNW7 1/20 0.64
MEN1 O00255 5/20 0.54
MAPT P10636 5/20 0.54
KMT2A Q03164 5/20 0.54
USP2 O75604 4/20 0.54
ALDH1A1 P00352 4/20 0.54
THRB P10828 4/20 0.54
MAPK1 P28482 4/20 0.54
TP53 P04637 3/20 0.54
CYP3A4 P08684 3/20 0.54
HPGD P15428 3/20 0.54
ALOX15 P16050 3/20 0.54

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
Naphthazalin SCHEMBL149279 0.78 TXNRD1 (1.00) AURKACDC25BAURKBCOPS5TXNRD1
Naphthazalin SCHEMBL29353283 0.78 TXNRD1 (1.00) AURKACDC25BAURKBCOPS5TXNRD1
Naphthazalin SCHEMBL27700955 0.78 TXNRD1 (1.00) AURKACDC25BAURKBCOPS5TXNRD1
Naphthazalin SCHEMBL6122890 0.76 TXNRD1 (0.94) AURKACDC25BAURKBCOPS5TXNRD1
Naphthazalin SCHEMBL21403377 0.76 TXNRD1 (0.94) AURKACDC25BAURKBCOPS5TXNRD1
SCHEMBL9643081 0.73 MAPT (0.52) AURKACDC25BAURKBCOPS5TXNRD1
SCHEMBL17464265 0.73 PIM1 (0.50) AURKACDC25BAURKBCOPS5TXNRD1
SCHEMBL3447098 0.73 ALDH1A1 (0.52) AURKACDC25BAURKBCOPS5TXNRD1
SCHEMBL30695845 0.71 CDC25B (0.58) AURKACDC25BAURKBCOPS5TXNRD1
SCHEMBL5299235 0.71 CDC25B (0.58) AURKACDC25BAURKBCOPS5TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008062252-A1 N-OXIDES OF CYTOTOXIC ANTHRAQUINONES AS HYPOXIA-TARGETING PRODRUGS IN CANCER TREATMENT ACCESS PHARMACEUTICALS, INC (US) 2008-05-29 WO disclosed
US-20070208085-A1 Potent cytotoxicity and inhibition of pan-cell cycle progression by an alkylating anthraquinone SOMANTA LIMITED (GB) 2007-09-06 US disclosed
WO-2007083114-A1 ALCHEMIX FOR THE TREATMENT OF CANCER SOMANTA, INCORPORATED (US) 2007-07-26 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-20070208085-A1 Potent cytotoxicity and inhibition of pan-cell cycle progression by an alkylating anthraquinone BOD1L1, CDC25C, CCNI AURKA 61/4885CDC25B 5/4885AURKB 59/4885

“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.