SCHEMBL14030076

SCHEMBL14030076

C=CS(=O)(=O)CCNc1nc(NC2CCCCC2)c(/N=N/c2ccc(S(=O)(=O)O)c3ccccc23)c(C)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CTRB1 P17538 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ FER P16591 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 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
SCHEMBL14030082 0.97 CTRB1 (0.33) MEN1THRBKMT2ATDP1CTRB1
SCHEMBL14004540 0.91 KDM4E (0.32) MAPK8MAPK9MAPK10ALDH1A1KDM4E
SCHEMBL14030077 0.91 MAPK8 (0.33) MAPK8MAPK9MAPK10ALDH1A1KDM4E
SCHEMBL14004536 0.88 KDM4E (0.34) MAPK8MAPK9MAPK10ALDH1A1KDM4E
SCHEMBL14030078 0.88 MAPK8 (0.34) MAPK8MAPK9MAPK10ALDH1A1KDM4E
SCHEMBL14004564 0.87 FER (0.31) FER
SCHEMBL14030074 0.87 CTRB1 (0.36) MEN1THRBKMT2ATDP1CTRB1
SCHEMBL14029561 0.87 CTRB1 (0.36) MEN1THRBKMT2ATDP1CTRB1
SCHEMBL14004539 0.86 CD40 (0.37) MEN1KMT2AMAPK8MAPK9MAPK10
SCHEMBL14004374 0.85 CTRB1 (0.35) MEN1THRBKMT2ATDP1CTRB1

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 MEN1 1425/4885THRB 3383/4885KMT2A 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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