SCHEMBL14004597

SCHEMBL14004597

C=CS(=O)(=O)CCNc1nc(NCCCOC)c(/N=N/c2cccc(S(=O)(=O)C=C)c2)c(C)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KDM4E B2RXH2 10/20 0.35
▸ ALDH1A1 P00352 7/20 0.35
▸ POLB P06746 3/20 0.34
▸ MAPK8 P45983 2/20 0.32
▸ MAPK9 P45984 2/20 0.32
▸ MAPK10 P53779 2/20 0.32
▸ HPGD P15428 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PHGDH O43175 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL14004596 0.91 KDM4E (0.35) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL14004600 0.91 KDM4E (0.35) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL14004589 0.88 KDM4E (0.34) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL14004584 0.88 KDM4E (0.34) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL14004608 0.87 PRMT1 (0.40) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL14004599 0.87 PRMT1 (0.40) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL14004613 0.86 PRMT1 (0.36) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL14004615 0.86 PRMT1 (0.36) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL14004628 0.84 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPK8MAPK9
SCHEMBL14004450 0.82 KDM4E (0.32) KMT2AMEN1KDM4EALDH1A1POLB

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
WO-2007006594-A2 REACTIVE AZO DYES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-01-18 — — WO 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 801/4885MEN1 1425/4885KDM4E 390/4885

“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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