SCHEMBL14004333

SCHEMBL14004333

C=CS(=O)(=O)CCNc1nc(NCCOS(=O)(=O)O)c(/N=N/c2ccc(-c3ccc(/N=N/c4c(NCCS(=O)(=O)C=C)nc(NCCOS(=O)(=O)O)c(C#N)c4C)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(C)c1C#N

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14004339 1.00 MAPT (0.31) MAPTTDP1KMT2AMEN1ALDH1A1
SCHEMBL14004342 1.00 MAPT (0.31) MAPTTDP1KMT2AMEN1ALDH1A1
SCHEMBL14029354 0.96 MAPK8 (0.30) —
SCHEMBL14029351 0.96 MAPK8 (0.30) —
SCHEMBL14004343 0.92 SENP2 (0.36) MAPTTDP1
SCHEMBL14004340 0.92 SENP2 (0.36) MAPTTDP1
SCHEMBL14004348 0.92 SENP2 (0.36) MAPTTDP1
SCHEMBL14004298 0.90 CD40 (0.38) MAPTTDP1KMT2AMEN1ALDH1A1
SCHEMBL14029357 0.89 SENP2 (0.32) —
SCHEMBL14004327 0.88 ATIC (0.37) —

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 MAPT 3286/4885TDP1 1407/4885KMT2A 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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