SCHEMBL14004539

SCHEMBL14004539

C=CS(=O)(=O)CCNc1nc(NC2CCCCC2)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)c(C)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.37
▸ CD40LG P29965 1/20 0.37
▸ MAPK8 P45983 2/20 0.33
▸ MAPK9 P45984 2/20 0.33
▸ MAPK10 P53779 2/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ BRD2 P25440 1/20 0.31
▸ BRD3 Q15059 1/20 0.31

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
SCHEMBL14004551 0.98 CD40 (0.36) CD40CD40LGMAPK8MAPK9MAPK10
SCHEMBL14004571 0.91 CD40 (0.41) CD40CD40LGKMT2AENPP2ALDH1A1
SCHEMBL14004540 0.89 KDM4E (0.32) MAPK8MAPK9MAPK10ALDH1A1KDM4E
SCHEMBL14004468 0.88 CD40 (0.39) CD40CD40LGKMT2AENPP2ALDH1A1
SCHEMBL14004451 0.88 CD40 (0.39) CD40CD40LGKMT2AENPP2ALDH1A1
SCHEMBL14004365 0.86 CD40 (0.37) CD40CD40LGKMT2AENPP2ALDH1A1
SCHEMBL14004355 0.86 CD40 (0.38) CD40CD40LGMAPK8MAPK9MAPK10
SCHEMBL14030076 0.86 MEN1 (0.34) MAPK8MAPK9MAPK10KMT2AALDH1A1
SCHEMBL14004349 0.86 CD40 (0.38) CD40CD40LGMAPK8MAPK9MAPK10
SCHEMBL14004298 0.86 CD40 (0.38) CD40CD40LGMAPK8MAPK9MAPK10

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 2 patents. 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
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 3566/4885MAPK8 3121/4885

“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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