SCHEMBL9605524

SCHEMBL9605524

CC(C)(C)OC(=O)NCCCN(CCCCN(CCCNC(=O)c1ccc(NN)nc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.45
GABRA5 P31644 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
TDP1 Q9NUW8 1/20 0.38
POLB P06746 3/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 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
SCHEMBL15065019 0.99 CA14 (0.44) CA14GABRA5NPC1RAB9ASTK17B
SCHEMBL19414952 0.91 GABRA5 (0.39) CA14GABRA5NPC1RAB9ASTK17B
SCHEMBL9605527 0.89 GABRA5 (0.48) GABRA5NPC1RAB9ASTK17BSTK17A
Hydrochloric Acid SCHEMBL15065211 0.88 GABRA5 (0.47) GABRA5NPC1RAB9ASTK17BSTK17A
SCHEMBL15064801 0.87 CA14 (0.47) CA14GABRA5NPC1RAB9ASTK17B
SCHEMBL9605528 0.87 CA14 (0.40) CA14STK17BSTK17AKDM4ENPSR1
SCHEMBL15065020 0.86 CA14 (0.40) CA14GABRA5NPC1RAB9AKDM4E
SCHEMBL9605543 0.86 CA14 (0.46) CA14GABRA5NPC1RAB9ASTK17B
SCHEMBL15065022 0.83 CA14 (0.37) CA14GABRA5NPC1RAB9AKDM4E
SCHEMBL19414938 0.81 CA14 (0.41) CA14GABRA5NPC1RAB9ASTK17B

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 5 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
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 CA14 15/4885GABRA5 3852/4885NPC1 281/4885

“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.