SCHEMBL14004615

SCHEMBL14004615

C=CS(=O)(=O)CCNc1nc(NCCCOC)c(/N=N/c2ccc(S(=O)(=O)C=C)cc2S(=O)(=O)O)c(C)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.36
▸ ENPP1 P22413 1/20 0.34
▸ MAPK8 P45983 2/20 0.34
▸ MAPK9 P45984 2/20 0.34
▸ MAPK10 P53779 2/20 0.34
▸ KDM4E B2RXH2 8/20 0.33
▸ ALDH1A1 P00352 5/20 0.32
▸ P2RX5 Q93086 2/20 0.32
▸ P2RX4 Q99571 2/20 0.32
▸ P2RX2 Q9UBL9 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ P2RY1 P47900 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ POLB P06746 2/20 0.32

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
SCHEMBL14004613 1.00 PRMT1 (0.36) PRMT1ENPP1MAPK8MAPK9MAPK10
SCHEMBL14004632 0.94 PRMT1 (0.37) PRMT1ENPP1MAPK8MAPK9MAPK10
SCHEMBL14004355 0.91 CD40 (0.38) ENPP1MAPK8MAPK9MAPK10KDM4E
SCHEMBL14004349 0.91 CD40 (0.38) ENPP1MAPK8MAPK9MAPK10KDM4E
SCHEMBL14004599 0.89 PRMT1 (0.40) PRMT1MAPK8MAPK9MAPK10KDM4E
SCHEMBL14004608 0.89 PRMT1 (0.40) PRMT1MAPK8MAPK9MAPK10KDM4E
SCHEMBL14004596 0.87 KDM4E (0.35) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL14004600 0.87 KDM4E (0.35) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL14004424 0.87 CD40 (0.35) ENPP1MAPK8MAPK9MAPK10KDM4E
SCHEMBL14004431 0.87 CD40 (0.35) ENPP1MAPK8MAPK9MAPK10KDM4E

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 3 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
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 PRMT1 26/4885ENPP1 3997/4885MAPK8 3121/4885

“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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