SCHEMBL14005306

SCHEMBL14005306

O=C(NNc1ccccc1)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
CXCR3 P49682 10/20 0.59
KCNA5 P22460 1/20 0.57
HDAC3 O15379 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
TAS2R14 Q9NYV8 2/20 0.48

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
SCHEMBL14005305 0.88 ALDH1A1 (0.50) KMT2ACXCR3KCNA5HDAC3HDAC11
SCHEMBL14004928 0.82 PTGS2 (0.49) CXCR3HDAC3HDAC11HDAC8HDAC6
SCHEMBL4744575 0.80 L3MBTL1 (0.48) KMT2AHDAC3HDAC6MAPTSMN1; SMN2
SCHEMBL14004929 0.80 ESR1 (0.51) KMT2AHDAC3HDAC11HDAC8HDAC6
SCHEMBL12863694 0.79 CXCR3 (0.75) KMT2ACXCR3KCNA5TAS2R14
SCHEMBL14005299 0.78 L3MBTL1 (0.44) KMT2AHDAC3HDAC11HDAC8HDAC6
SCHEMBL9362917 0.78 KMT2A (1.00) KMT2ACXCR3KCNA5MAPTSMN1; SMN2
SCHEMBL1169383 0.78 CXCR3 (0.78) KMT2ACXCR3KCNA5TAS2R14
SCHEMBL1169939 0.77 CXCR3 (0.71) KMT2ACXCR3KCNA5HDAC3HDAC11
SCHEMBL1169755 0.77 CXCR3 (0.69) KMT2ACXCR3KCNA5TAS2R14

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 KMT2A 4463/4885CXCR3 5/4885KCNA5 4394/4885

“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.