SCHEMBL4381121

SCHEMBL4381121

O=[N+]([O-])c1ccccc1S(=O)(=O)N(CCCBr)CCN(CCCBr)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
PTPN1 P18031 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
THRB P10828 1/20 0.42
VCAM1 P19320 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL2337212 0.92 CA1 (0.51) KMT2AMEN1CA1CA2MMP1
SCHEMBL14472155 0.91 KMT2A (0.50) KMT2AMEN1CA1CA2MMP1
SCHEMBL4295323 0.90 KMT2A (0.53) KMT2AMEN1CA1CA2MMP1
SCHEMBL4387858 0.87 KMT2A (0.51) KMT2AMEN1CA1CA2MMP1
SCHEMBL1984721 0.84 KMT2A (0.51) KMT2AMEN1CA1CA2MMP1
SCHEMBL231935 0.84 VCAM1 (0.56) KMT2AMEN1CA1CA2MMP1
SCHEMBL23117030 0.83 KMT2A (0.50) KMT2AMEN1CA1CA2MMP1
SCHEMBL29768558 0.83 KMT2A (0.50) KMT2AMEN1CA1CA2MMP1
SCHEMBL967857 0.83 VCAM1 (0.52) KMT2AMEN1CA1CA2MMP1
SCHEMBL10312367 0.82 KMT2A (0.52) KMT2AMEN1CA1CA2MMP1

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-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 KMT2A 441/4885MEN1 3396/4885CA1 1614/4885

“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.