SCHEMBL8516388

SCHEMBL8516388

NCCCNCCCCNCCCNCCCNC(=O)c1ccc(NN)nc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
KDM4C Q9H3R0 1/20 0.52
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2B Q13224 2/20 0.52
ALOX15 P16050 2/20 0.45
POLB P06746 1/20 0.45
SMYD3 Q9H7B4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
MAPK8 P45983 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL8515153 1.00 KDM4E (0.58) KDM4EKDM4CGRIN1GRIN2AGRIN2B
SCHEMBL8513622 0.97 KDM4E (0.58) KDM4EKDM4CGRIN1GRIN2AGRIN2B
SCHEMBL8515103 0.92 KDM4E (0.49) KDM4EKDM4CSMYD3EPHX2NAMPT
Acetone SCHEMBL28835039 0.90 KDM4E (0.50) KDM4EKDM4CEPHX2MAPK8NAMPT
SCHEMBL9605892 0.84 KDM4E (0.60) KDM4EKDM4CGRIN1GRIN2AGRIN2B
SCHEMBL13349296 0.83 POLB (0.50) KDM4EKDM4CPOLBEPHX2NAMPT
SCHEMBL8516129 0.82 KDM4E (0.49) KDM4EKDM4CGRIN1GRIN2AGRIN2B
SCHEMBL16688446 0.82 MAPK1 (0.61) KDM4EPOLBNAMPT
SCHEMBL31365939 0.82 L3MBTL1 (0.57) KDM4ESMN1; SMN2EPHX2
SCHEMBL12364920 0.81 EPHX2 (0.60) KDM4ESMN1; SMN2EPHX2NAMPT

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
EP-2643301-B1 TECHNETIUM-99M COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS PF MEDICAMENT (FR) 2017-10-04 EP disclosed
EP-2643301-B1 TECHNETIUM-99M COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS PF MEDICAMENT (FR) 2017-10-04 EP disclosed
EP-2643301-A1 TECHNETIUM-99M COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS Pierre Fabre Medicament (FR) 2013-10-02 EP disclosed
US-20130171067-A1 TECHNETIUM-99m COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS PIERRE FABRE MEDICAMENT (FR) 2013-07-04 US disclosed
US-20130171067-A1 TECHNETIUM-99m COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS PIERRE FABRE MEDICAMENT (FR) 2013-07-04 US disclosed
WO-2012069608-A1 TECHNETIUM-99M COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS PIERRE FABRE MEDICAMENT (FR) 2012-05-31 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-20130171067-A1 TECHNETIUM-99m COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS SLC40A1, CDC73, BRCA1 KDM4E 4131/4885KDM4C 3844/4885GRIN1 4401/4885

“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.