SCHEMBL10240181

SCHEMBL10240181

C=CCCN(CCC=C)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
POLB P06746 1/20 0.50
PTPN1 P18031 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CYP19A1 P11511 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL409365 0.84 NPSR1 (0.53) KMT2AMEN1TDP1POLBPTPN1
SCHEMBL2861721 0.82 KMT2A (0.47) KMT2AMEN1PTPN1CA1CA2
SCHEMBL354664 0.81 KMT2A (0.46) KMT2AMEN1TDP1POLBPTPN1
SCHEMBL2821245 0.81 KMT2A (0.54) KMT2AMEN1TDP1POLBPTPN1
SCHEMBL231935 0.81 VCAM1 (0.56) KMT2AMEN1PTPN1CA1CA2
SCHEMBL1644292 0.79 KMT2A (0.44) KMT2AMEN1TDP1PTPN1CA1
SCHEMBL1644288 0.79 KMT2A (0.44) KMT2AMEN1TDP1PTPN1CA1
SCHEMBL6928594 0.79 KMT2A (0.62) KMT2AMEN1TDP1POLBPTPN1
SCHEMBL1984721 0.78 KMT2A (0.51) KMT2AMEN1PTPN1CA1CA2
SCHEMBL4387858 0.78 KMT2A (0.51) KMT2AMEN1PTPN1CA1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9764036-B2 Lipids and compositions for the delivery of therapeutics ARBUTUS BIOPHARMA CORPORATION (CA) 2017-09-19 US disclosed
US-20160213785-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2016-07-28 US disclosed
US-9220683-B2 Lipids and compositions for the delivery of therapeutics TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2015-12-29 US disclosed
US-20120095075-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120027796-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
WO-2010054406-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2010-05-14 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 (3 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-20160213785-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 KMT2A 4246/4885MEN1 2422/4885TDP1 3823/4885
US-20120095075-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 KMT2A 4228/4885MEN1 2333/4885TDP1 3817/4885
US-20120027796-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, ABCB4, LCAT KMT2A 3432/4885MEN1 2856/4885TDP1 3307/4885

“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.