SCHEMBL14004569

SCHEMBL14004569

Cc1c(C#N)c(NCCS(=O)(=O)CCO)nc(NCCS(=O)(=O)CCO)c1/N=N/c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ ENPP2 Q13822 4/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CCNA2 P20248 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ ATIC P31939 1/20 0.33
▸ SUMO2 P61956 1/20 0.33
▸ SUMO1 P63165 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP2 Q9HC62 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL14004288 0.98 CD40 (0.40) CD40CD40LGKMT2AMEN1MAPT
SCHEMBL14004289 0.98 CD40 (0.40) CD40CD40LGKMT2AMEN1MAPT
SCHEMBL14004572 0.91 CD40 (0.40) CD40CD40LGKMT2AMEN1MAPT
SCHEMBL14004293 0.90 CD40 (0.39) CD40CD40LGKMT2AMEN1MAPT
SCHEMBL14004571 0.89 CD40 (0.41) CD40CD40LGKMT2AMEN1MAPT
SCHEMBL14029362 0.89 ENPP2 (0.43) CD40CD40LGKMT2AMEN1ALDH1A1
SCHEMBL14029539 0.87 ENPP2 (0.42) CD40CD40LGKMT2AMEN1ALDH1A1
SCHEMBL14029537 0.87 ENPP2 (0.42) CD40CD40LGKMT2AMEN1ALDH1A1
SCHEMBL14004257 0.87 CD40 (0.37) CD40CD40LGKMT2AMEN1MAPT
SCHEMBL14004468 0.85 CD40 (0.39) CD40CD40LGKMT2AMEN1MAPT

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-20080289124-A1 Reactive Azo Dyes, Methods for the Production Thereof and Their Use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-27 — — 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-20080289124-A1 Reactive Azo Dyes, Methods for the Production Thereof and Their Use IK, CYP1A1, ALKBH1 CD40 4109/4885CD40LG 3566/4885KMT2A 801/4885

“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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