SCHEMBL9605546

SCHEMBL9605546

CC(C)(C)OC(=O)NNc1ccc(C(=O)NCCCNCCCCNCCCN)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
GABRA5 P31644 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC1 Q13547 1/20 0.38
BRD4 O60885 4/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL16710810 0.88 KDM4E (0.47) KDM4EKDM4CPOLBGABRA5RAB9A
SCHEMBL8130447 0.85 KDM4E (0.43) KDM4EPOLBALOX15GABRA5RAB9A
SCHEMBL17327648 0.84 GABRA5 (0.40) POLBGABRA5RAB9AHDAC1CA12
SCHEMBL8516129 0.82 KDM4E (0.49) KDM4EGRIN1GRIN2AGRIN2BKDM4C
SCHEMBL14854459 0.82 GABRA5 (0.40) KDM4EGRIN2BPOLBGABRA5ITGB3
SCHEMBL8124864 0.82 GABRA5 (0.43) KDM4EPOLBGABRA5RAB9AHDAC1
SCHEMBL8516388 0.79 KDM4E (0.58) KDM4EGRIN1GRIN2AGRIN2BKDM4C
SCHEMBL8515153 0.79 KDM4E (0.58) KDM4EGRIN1GRIN2AGRIN2BKDM4C
SCHEMBL9605527 0.79 GABRA5 (0.48) KDM4EPOLBGABRA5RAB9AMAOA
Hydrochloric Acid SCHEMBL15065211 0.78 GABRA5 (0.47) KDM4EPOLBGABRA5RAB9AMAOA

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 4 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
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 4131/4885GRIN1 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.