SCHEMBL13703533

SCHEMBL13703533

O=CNc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)O)cc4)cc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.78
▸ CD40LG P29965 1/20 0.78
▸ ENPP2 Q13822 11/20 0.58
▸ PRMT3 O60678 1/20 0.50
▸ EP300 Q09472 1/20 0.50
▸ PRMT6 Q96LA8 1/20 0.50
▸ PRMT1 Q99873 1/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ CA2 P00918 1/20 0.45
▸ CA3 P07451 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL14338720 0.90 CD40 (0.62) CD40CD40LGENPP2PRMT3EP300
SCHEMBL14025107 0.89 CD40 (0.81) CD40CD40LGENPP2PRMT3EP300
SCHEMBL19882740 0.87 CD40 (0.79) CD40CD40LGENPP2PRMT3EP300
SCHEMBL19958353 0.87 CD40 (1.00) CD40CD40LGENPP2PRMT3EP300
SCHEMBL14466096 0.83 CD40 (0.72) CD40CD40LGENPP2MEN1THRB
SCHEMBL14025123 0.82 CD40 (0.71) CD40CD40LGENPP2PRMT3EP300
SCHEMBL14388335 0.81 ENPP2 (0.55) CD40CD40LGENPP2PRMT3EP300
SCHEMBL17518451 0.81 CD40 (0.69) CD40CD40LGENPP2PRMT3EP300
SCHEMBL14338727 0.81 ENPP2 (0.53) CD40CD40LGENPP2PRMT3EP300
SCHEMBL1598803 0.80 THRB (0.69) CD40CD40LGENPP2MEN1THRB

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-20090232915-A1 MIXTURES WITH A COLLAGEN SYNTHESIS BOOSTING ACTION SYMRISE GMBH & CO., KG (DE) 2009-09-17 — — 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-20090232915-A1 MIXTURES WITH A COLLAGEN SYNTHESIS BOOSTING ACTION COL1A1, COL2A1, COL14A1 CD40 1634/4885CD40LG 1139/4885ENPP2 754/4885

“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.

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