SCHEMBL14004415

SCHEMBL14004415

C=CS(=O)(=O)c1ccc(CCNc2nc(NCCOS(=O)(=O)O)c(C#N)c(C)c2/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK8 P45983 2/20 0.32
▸ MAPK9 P45984 2/20 0.32
▸ MAPK10 P53779 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PRMT1 Q99873 1/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ RPS6KA3 P51812 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
SCHEMBL14004418 1.00 CD40 (0.36) CD40CD40LGALDH1A1CA1CA2
SCHEMBL14004298 0.89 CD40 (0.38) CD40CD40LGALDH1A1MAPK8MAPK9
SCHEMBL14004293 0.87 CD40 (0.39) CD40CD40LGALDH1A1MAPK8MAPK9
SCHEMBL14004572 0.85 CD40 (0.40) CD40CD40LGALDH1A1KDM4ETDP1
SCHEMBL14004411 0.83 APP (0.39) ALDH1A1TP53TDP1GAAHPGD
SCHEMBL14004409 0.83 APP (0.39) ALDH1A1TP53TDP1GAAHPGD
SCHEMBL14004571 0.83 CD40 (0.41) CD40CD40LGALDH1A1KDM4ETDP1
SCHEMBL14004257 0.81 CD40 (0.37) CD40CD40LGALDH1A1MAPK8MAPK9
SCHEMBL14004349 0.81 CD40 (0.38) CD40CD40LGALDH1A1MAPK8MAPK9
SCHEMBL14004355 0.81 CD40 (0.38) CD40CD40LGALDH1A1MAPK8MAPK9

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 3566/4885ALDH1A1 284/4885

“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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