SCHEMBL14004600

SCHEMBL14004600

C=CS(=O)(=O)CCNc1nc(NCCCOC)c(/N=N/c2ccc(S(=O)(=O)C=C)cc2)c(C)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.35
▸ KMT2A Q03164 6/20 0.35
▸ POLB P06746 3/20 0.35
▸ ALDH1A1 P00352 8/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PKM P14618 1/20 0.34
▸ MAPK8 P45983 2/20 0.33
▸ MAPK9 P45984 2/20 0.33
▸ MAPK10 P53779 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ USP2 O75604 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MCL1 Q07820 1/20 0.30
▸ HPGD P15428 2/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL14004596 1.00 KDM4E (0.35) KDM4EKMT2APOLBALDH1A1MEN1
SCHEMBL14004584 0.95 KDM4E (0.34) KDM4EKMT2APOLBALDH1A1MEN1
SCHEMBL14004589 0.95 KDM4E (0.34) KDM4EKMT2APOLBALDH1A1MEN1
SCHEMBL14004628 0.93 KMT2A (0.39) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL14004597 0.91 KMT2A (0.35) KDM4EKMT2APOLBALDH1A1MEN1
SCHEMBL14004433 0.88 MAPK8 (0.34) KDM4EKMT2APOLBALDH1A1MEN1
SCHEMBL14004442 0.88 MAPK8 (0.34) KDM4EKMT2APOLBALDH1A1MEN1
SCHEMBL14004608 0.88 PRMT1 (0.40) KDM4EKMT2APOLBALDH1A1MEN1
SCHEMBL14004599 0.88 PRMT1 (0.40) KDM4EKMT2APOLBALDH1A1MEN1
SCHEMBL14004355 0.87 CD40 (0.38) KDM4EKMT2APOLBALDH1A1MEN1

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 KDM4E 390/4885KMT2A 801/4885POLB 3794/4885

“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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