SCHEMBL8516129

SCHEMBL8516129

NCCCNCCCCNCCCNC(=O)c1ccc(NNC(=O)C(F)(F)F)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ALOX15 P16050 2/20 0.39
POLB P06746 1/20 0.39
MLYCD O95822 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37
GRIA1 P42261 1/20 0.37

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
SCHEMBL9605546 0.82 KDM4E (0.49) KDM4EGRIN1GRIN2AGRIN2BKDM4C
SCHEMBL8515153 0.82 KDM4E (0.58) KDM4EGRIN1GRIN2AGRIN2BKDM4C
SCHEMBL8516388 0.82 KDM4E (0.58) KDM4EGRIN1GRIN2AGRIN2BKDM4C
SCHEMBL8513622 0.79 KDM4E (0.58) KDM4EGRIN1GRIN2AGRIN2BKDM4C
SCHEMBL9605892 0.77 KDM4E (0.60) KDM4EGRIN1GRIN2AGRIN2BKDM4C
SCHEMBL8515103 0.74 KDM4E (0.49) KDM4EKDM4C
SCHEMBL15065060 0.72 HCAR3 (0.54)
SCHEMBL7326932 0.72 GRIN1 (0.60) KDM4EGRIN1GRIN2AGRIN2BHDAC6
Acetone SCHEMBL28835039 0.72 KDM4E (0.50) KDM4EKDM4C
SCHEMBL2614261 0.71 GRIN1 (0.58) KDM4EGRIN1GRIN2AGRIN2BHDAC6

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 7 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
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 4131/4885GRIN1 4401/4885GRIN2A 4801/4885

“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.