SCHEMBL9605525

SCHEMBL9605525

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
STK17B O94768 1/20 0.51
STK17A Q9UEE5 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GABRA5 P31644 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
BRD4 O60885 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL20289570 0.95 MEN1 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15064801 0.88 CA14 (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9605543 0.87 CA14 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL24322054 0.86 STK17B (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3523655 0.85 TDP1 (0.60) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL24992894 0.85 EPHX2 (0.52) RAB9ASTK17BSTK17ADRD2DRD4
SCHEMBL9605527 0.84 GABRA5 (0.48) MEN1KMT2ANPC1RAB9ASTK17B
SCHEMBL20648705 0.84 KDM4E (0.50) MEN1KMT2ARAB9ASTK17BSTK17A
Hydrochloric Acid SCHEMBL15065211 0.83 GABRA5 (0.47) MEN1KMT2ANPC1RAB9ASTK17B
SCHEMBL20460467 0.82 NPC1 (0.60) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 MEN1 4/4885KMT2A 3894/4885NPC1 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.