SCHEMBL14004256

SCHEMBL14004256

COCCCNc1cc(NCCS(=O)(=O)CCO)c(C#N)c(C)c1/N=N/c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ENPP2 Q13822 2/20 0.33
▸ RPS6KA3 P51812 1/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.31
▸ ATIC P31939 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ P2RX5 Q93086 1/20 0.30
▸ P2RX4 Q99571 1/20 0.30
▸ P2RX2 Q9UBL9 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
SCHEMBL14004258 0.91 CD40 (0.37) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL14029605 0.90 ENPP2 (0.37) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL14004257 0.84 CD40 (0.37) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL14004267 0.84 CD40 (0.35) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL14625588 0.83 ENPP2 (0.38) MAPTALDH1A1CD40CD40LGENPP2
SCHEMBL14004569 0.83 CD40 (0.41) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL14004288 0.81 CD40 (0.40) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL14004289 0.81 CD40 (0.40) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL14004349 0.81 CD40 (0.38) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL14004355 0.81 CD40 (0.38) KMT2AMAPTMEN1ALDH1A1PKM

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 KMT2A 801/4885MAPT 3286/4885MEN1 1425/4885

“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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