SCHEMBL9605527

SCHEMBL9605527

CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(NN)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.48
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
NPSR1 Q6W5P4 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 1/20 0.42

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
Hydrochloric Acid SCHEMBL15065211 0.99 GABRA5 (0.47) GABRA5CA12CA1CA2CA9
SCHEMBL9605524 0.89 CA14 (0.45) GABRA5CA12CA1CA2CA9
SCHEMBL15065019 0.88 CA14 (0.44) GABRA5CA12CA1CA2CA9
SCHEMBL16710810 0.85 KDM4E (0.47) GABRA5CA12CA1CA2CA9
SCHEMBL9605525 0.84 MEN1 (0.55) GABRA5CA12CA1CA2CA9
SCHEMBL14453983 0.83 KDM4E (0.49) KDM4EMAPTNPC1RAB9A
SCHEMBL4751860 0.82 NAMPT (0.41) GABRA5
SCHEMBL3523655 0.82 TDP1 (0.60) CA12CA1CA2CA9TDP1
SCHEMBL24992894 0.81 EPHX2 (0.52) GABRA5CA12CA1CA2CA9
SCHEMBL31365939 0.81 L3MBTL1 (0.57) CA2KDM4EMAPTMEN1KMT2A

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 GABRA5 3852/4885CA12 28/4885CA1 150/4885

“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.